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2'-deoxy-5-hydroxymethyl-CDP is a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate that is 2'-deoxycytidine 5'-diphosphate (CDP) substituted by a hydroxymethyl group at position 5. It is functionally related to a CDP. | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)OP(=O)(O)O)O |
2'-deoxy-5-hydroxymethyl-CTP is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate that is 2'deoxycytidine-5'-triphosphate substituted by a hydroxymethyl group at position 5. It is functionally related to a CTP. | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
24-epi-brassinolide is a 2alpha-hydroxy steroid, a 3alpha-hydroxy steroid, a 22-hydroxy steroid, a 23-hydroxy steroid and a brassinosteroid. | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O |
25-Hydroxy-24-epi-brassinolide is a brassinosteroid. | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)(C)O)O)O |
26-Hydroxy-24-epi-brassinolide is a brassinosteroid. | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)CO)O)O |
9,10-Dihydrokadsurenone is a member of benzofurans. | CCCC1=C[C@@]2([C@@H]([C@H](OC2=CC1=O)C3=CC(=C(C=C3)OC)OC)C)OC |
Spinosyn A is a spinosyn in which the sugar amino and hydroxy groups are globally methylated. One of the two active ingredients of spinosad. It has a role as a pediculicide. It is a spinosyn and a spinosyn insecticide. | CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C |
Spinosyn B is a spinosyn. | CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)NC |
Carbetamide is a carbamate ester obtained by the formal condensation of phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide. It has a role as a xenobiotic, an environmental contaminant and a herbicide. It is a carbamate ester and a monocarboxylic acid amide. It is functionally related to a phenylcarbamic acid. | CCNC(=O)[C@H](C)OC(=O)NC1=CC=CC=C1 |
Hymexazol O-glucoside is a glycoside. | CC1=CC(=NO1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Hymexazol N-glucoside is a N-glycosyl compound. | CC1=CC(=O)N(O1)[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
3-beta-D-glucopyranuronosyloxy-5-methylisoxazole is a glucosiduronic acid. | CC1=CC(=NO1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 2-methoxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a mouse metabolite. It is a beta-D-glucosiduronic acid, an aromatic ether, a 17beta-hydroxy steroid and a steroid glucosiduronic acid. It is functionally related to a 2-methoxy-17beta-estradiol. It is a conjugate acid of a 2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-). | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
2-methoxyestrone 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 2-methoxyestrone having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a mouse metabolite. It is a 17-oxo steroid, a beta-D-glucosiduronic acid, an aromatic ether and a steroid glucosiduronic acid. It is functionally related to a 2-methoxyestrone. It is a conjugate acid of a 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-). | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid is a steroid glucosiduronic acid. It has a role as a human metabolite and a mouse metabolite. It is functionally related to a 3alpha-hydroxy-5beta-androstan-17-one. | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
17beta-estradiol 17-glucosiduronate is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 17beta-estradiol 17-glucosiduronic acid. It is a monocarboxylic acid anion, a steroid glucosiduronic acid anion, a beta-D-glucosiduronate and an estrane conjugate. It is a conjugate base of a 17beta-estradiol 17-glucosiduronic acid. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)O |
Estriol 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is the 3-beta-D-glucuronide of estriol; a steroid hormone ligand recognised by the monoclonal antibody 4155. It has a role as an epitope and an estrogen. It is a 17beta-hydroxy steroid, a 16alpha-hydroxy steroid and a steroid glucosiduronic acid. It is functionally related to an estriol. It is a conjugate acid of an estriol 3-O-(beta-D-glucuronide)(1-). It derives from a hydride of an estrane. | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
S-Decyl GSH is a peptide. | CCCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
Acetylleucyl-leucyl-norleucinal is a tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. It has a role as a cysteine protease inhibitor. It is a tripeptide and an aldehyde. | CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C |
S-(4-Azidophenacyl)glutathione is a peptide. | C1=CC(=CC=C1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)N=[N+]=[N-] |
D-Ornithine hydrochloride is an organic molecular entity. | C(C[C@H](C(=O)O)N)CN.Cl |
Leucyl-leucyl-norleucine is a peptide. | CCCCC(C(=O)O)NC(=O)C(CC(C)C)NC(=O)[C@H](CC(C)C)N |
Estriol 17-O-(beta-D-glucuronide)(1-) is a steroid glucuronide anion that is the conjugate base of estriol 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3. | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)CCC5=C3C=CC(=C5)O |
(S)-1-phenylethanol is the (S)-enantiomer of 1-phenylethanol. It has a role as a mouse metabolite. It is an enantiomer of a (R)-1-phenylethanol. | C[C@@H](C1=CC=CC=C1)O |
4-amino-4-deoxychorismic acid is a dicarboxylic acid comprising chorismic acid having its 4-hydroxy group replaced by an amino group. It is functionally related to a chorismic acid. It is a conjugate acid of a 4-amino-4-deoxychorismate(1-). | C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1N)C(=O)O |
(-)-anaferine is a piperidine alkaloid that is piperidine substituted by a 2-oxo-3-[(2R)-piperidin-2-yl]propyl group at position 2. It has a role as a plant metabolite. It is a piperidine alkaloid and a ketone. | C1CCN[C@H](C1)CC(=O)C[C@H]2CCCCN2 |
(-)-hygrine is a 1-(1-methylpyrrolidin-2-yl)acetone that has S configuration. It is a pyrrolidine alkaloid and a 1-(1-methylpyrrolidin-2-yl)acetone. It is an enantiomer of a hygrine. | CC(=O)C[C@@H]1CCCN1C |
BQ 485 is a peptide. | CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)N5CCCCCC5 |
CPT-11 carboxylate form is a member of quinolines. | CCC1=C2CN3C(=CC(=C(C3=O)CO)[C@@](CC)(C(=O)[O-])O)C2=NC4=C1C=C(C=C4)OC(=O)N5CCC(CC5)N6CCCCC6 |
SN-38 carboxylate is a hydroxy monocarboxylic acid anion that is the conjugate base of SN-38 carboxylic acid, obtained from the deprotonation of the carboxy group. It is the major microspecies at pH 7.3. It is a conjugate base of a SN-38 carboxylic acid. | CCC1=C2CN3C(=CC(=C(C3=O)CO)[C@@](CC)(C(=O)[O-])O)C2=NC4=C1C=C(C=C4)O |
SN-38 carboxylic acid is a 2-hydroxy monocarboxylic acid resulting from the hydrolysis of the delta-lactone ring of SN-38. It is a metabolite of SN-38. It has a role as a drug metabolite. It is a member of phenols, a tertiary alcohol, an organonitrogen heterocyclic compound, an organic heterotetracyclic compound, an enone, a 2-hydroxy monocarboxylic acid and a primary alcohol. It is functionally related to a SN-38. It is a conjugate acid of a SN-38 carboxylate. | CCC1=C2CN3C(=CC(=C(C3=O)CO)[C@@](CC)(C(=O)O)O)C2=NC4=C1C=C(C=C4)O |
N-Ethylmaleimide-S-glutathione is a peptide and a member of maleimides. | C1=CC(=O)N(C1=O)CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
Temocaprilat is a non-proteinogenic alpha-amino acid. | C1[C@H](SC[C@@H](C(=O)N1CC(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C3=CC=CS3 |
SN38 glucuronide carboxylate form is a glucosiduronic acid. | CCC1=C2CN3C(=CC(=C(C3=O)CO)[C@@](CC)(C(=O)[O-])O)C2=NC4=C1C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
SN38 glucuronide is a pyranoindolizinoquinoline. | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
(R)-[(2S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol is a cinchona alkaloid. | C=C[C@H]1CN2CCC1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O |
(+)-car-3-ene is a car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6. It is an enantiomer of a (-)-car-3-ene. | CC1=CC[C@@H]2[C@H](C1)C2(C)C |
(S)-(-)-citronellal is the (3S)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal). It is an enantiomer of a (R)-(+)-citronellal. | C[C@@H](CCC=C(C)C)CC=O |
(R)-linalool is the (R)-enantiomer of linalool. It is an enantiomer of a (S)-linalool. | CC(=CCC[C@](C)(C=C)O)C |
(+)-menthone is a menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2R,5S-stereoisomer). It is an enantiomer of a (-)-menthone. | C[C@H]1CC[C@@H](C(=O)C1)C(C)C |
(+)-alpha-phellandrene is the (5S)-stereoisomer of alpha-phellandrene (5-isopropyl-2-methylcyclohexa-1,3-diene). It is an enantiomer of a (-)-alpha-phellandrene. | CC1=CC[C@H](C=C1)C(C)C |
(-)-beta-phellandrene is a beta-phellandrene in which the chiral centre has R configuration. It has a role as a plant metabolite. It is an enantiomer of a (+)-beta-phellandrene. | CC(C)[C@H]1CCC(=C)C=C1 |
(S)-(-)-alpha-terpineol is the (S)-enantiomer of alpha-terpineol. It has a role as a plant metabolite. It is an enantiomer of a (R)-(+)-alpha-terpineol. | CC1=CC[C@H](CC1)C(C)(C)O |
(-)-dihydrocarveol is the (1R,2R,4R)-stereoisomer of dihydrocarveol. It has a role as a fragrance. It is an enantiomer of a (+)-dihydrocarveol. | C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C |
(+)-neodihydrocarveol is a dihydrocarveol with a (1R,2S,4R)-configuration. It is an enantiomer of a (-)-neodihydrocarveol. | C[C@@H]1CC[C@H](C[C@@H]1O)C(=C)C |
(+)-isodihydrocarveol is the (1S,2S,4R)-stereoisomer of dihydrocarveol. It is an enantiomer of a (-)-isodihydrocarveol. | C[C@H]1CC[C@H](C[C@@H]1O)C(=C)C |
(+)-neoisodihydrocarveol is the (1R,2S,5R)-stereoisomer of dihydrocarveol. It is an enantiomer of a (-)-neoisodihydrocarveol. | C[C@H]1CC[C@H](C[C@H]1O)C(=C)C |
(+)-isodihydrocarvone is the (1S,4R)-stereoisomer of dihydrocarvone. It is an enantiomer of a (-)-isodihydrocarvone. | C[C@H]1CC[C@H](CC1=O)C(=C)C |
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one is the (4R,7R)-stereoisomer of 4-isopropenyl-7-methyloxepan-2-one. | C[C@@H]1CC[C@H](CC(=O)O1)C(=C)C |
(3S,6S)-6-isopropenyl-3-methyloxepan-2-one is an optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6S)-configuration. | C[C@H]1CC[C@H](COC1=O)C(=C)C |
(3R)-6-Hydroxy-3-isopropenyl-heptanoate is a carbonyl compound. | CC(CC[C@H](CC(=O)O)C(=C)C)O |
(3S)-3-isopropenyl-6-oxoheptanoate is an optically active form of 3-isopropenyl-6-oxoheptanoate having (3S)-configuration. It is functionally related to a (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one and a (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate base of a (3S)-3-isopropenyl-6-oxoheptanoic acid. It is an enantiomer of a (3R)-3-isopropenyl-6-oxoheptanoate. | CC(=C)[C@@H](CCC(=O)C)CC(=O)[O-] |
(3S)-3-isopropenyl-6-oxoheptanoic acid is an optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3S)-configuration. It is functionally related to a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate acid of a (3S)-3-isopropenyl-6-oxoheptanoate. It is an enantiomer of a (3R)-3-isopropenyl-6-oxoheptanoic acid. | CC(=C)[C@@H](CCC(=O)C)CC(=O)O |
(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate is a carbonyl compound. | CC(CC[C@H](CO)C(=C)C)C(=O)O |
(+)-cis-carveol is the (1S,5S)-stereoisomer of carveol. It is an enantiomer of a (-)-cis-carveol. | CC1=CC[C@@H](C[C@@H]1O)C(=C)C |
(+)-trans-carveol is a carveol. It is an enantiomer of a (-)-trans-carveol. | CC1=CC[C@@H](C[C@H]1O)C(=C)C |
(-)-neoisodihydrocarveol is a dihydrocarveol with a (1R,2S,4S)-configuration. It is an enantiomer of a (+)-neoisodihydrocarveol. | C[C@@H]1CC[C@@H](C[C@@H]1O)C(=C)C |
(-)-isodihydrocarveol is the (1R,2R,4S)-stereoisomer of dihydrocarveol. It is an enantiomer of a (+)-isodihydrocarveol. | C[C@@H]1CC[C@@H](C[C@H]1O)C(=C)C |
(-)-isodihydrocarvone is the (1R,4S)-stereoisomer of dihydrocarvone. It is an enantiomer of a (+)-isodihydrocarvone. | C[C@@H]1CC[C@@H](CC1=O)C(=C)C |
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one is the (4S,7R)-stereoisomer of 4-isopropenyl-7-methyloxepan-2-one. | C[C@@H]1CC[C@@H](CC(=O)O1)C(=C)C |
(-)-dihydrocarvone is a dihydrocarvone in (S,S) configuration. It is an enantiomer of a (+)-dihydrocarvone. | C[C@H]1CC[C@@H](CC1=O)C(=C)C |
(-)-neodihydrocarveol is the (1R,2S,5S)-stereoisomer of dihydrocarveol. It has a role as a fungal xenobiotic metabolite. It is an enantiomer of a (+)-neodihydrocarveol. | C[C@H]1CC[C@@H](C[C@H]1O)C(=C)C |
(3S)-6-Hydroxy-3-isopropenyl-heptanoate is a carbonyl compound. | CC(CC[C@@H](CC(=O)O)C(=C)C)O |
(3S,6R)-6-isopropenyl-3-methyloxepan-2-one is an optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6R)-configuration. | C[C@H]1CC[C@@H](COC1=O)C(=C)C |
(3R)-3-isopropenyl-6-oxoheptanoate is an optically active form of 3-isopropenyl-6-oxoheptanoate having (3R)-configuration. It is a conjugate base of a (3R)-3-isopropenyl-6-oxoheptanoic acid. It is an enantiomer of a (3S)-3-isopropenyl-6-oxoheptanoate. | CC(=C)[C@H](CCC(=O)C)CC(=O)[O-] |
(3R)-3-isopropenyl-6-oxoheptanoic acid is an optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3R)-configuration. It is functionally related to a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate acid of a (3R)-3-isopropenyl-6-oxoheptanoate. It is an enantiomer of a (3S)-3-isopropenyl-6-oxoheptanoic acid. | CC(=C)[C@H](CCC(=O)C)CC(=O)O |
(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate is a carbonyl compound. | CC(CC[C@@H](CO)C(=C)C)C(=O)O |
(9R,10S)-9,10-epoxy-9,10-dihydrophenanthrene is a 9,10-epoxy-9,10-dihydrophenanthrene. | C1=CC=C2C(=C1)[C@H]3[C@H](O3)C4=CC=CC=C42 |
(1S,2R)-1,2-epoxy-1,2-dihydrophenanthrene is a 1,2-epoxy-1,2-dihydrophenanthrene. It is an enantiomer of a (1R,2S)-1,2-epoxy-1,2-dihydrophenanthrene. | C1=CC=C2C(=C1)C=CC3=C2C=C[C@@H]4[C@H]3O4 |
2-C-methyl-D-erythritol 4-(dihydrogen phosphate) is a tetritol phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 2-C-methyl-D-erythritol 4-phosphate(2-). | C[C@](CO)([C@@H](COP(=O)(O)O)O)O |
4-CDP-2-C-methyl-D-erythritol is a nucleotide-alditol, an alditol 4-phosphate and a tetritol phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 4-CDP-2-C-methyl-D-erythritol(2-). | C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O |
4-CDP-2-C-methyl-D-erythritol 2-phosphate is a nucleotide-alditol, an alditol 4-phosphate and a tetritol phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-). | C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O |
1-deoxy-D-xylulose 5-phosphate is the 5-phospho derivative of 1-deoxy-D-xylulose. It has a role as an Escherichia coli metabolite. It is functionally related to a D-xylulose. It is a conjugate acid of a 1-deoxy-D-xylulose 5-phosphate(2-). | CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O |
DTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose is a pyrimidine nucleotide-sugar. | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@@H]([C@@H](C(O3)(C)C)N(C)C)O)O)O |
DTDP-alpha-D-glucose is a dTDP-sugar having alpha-D-glucopyranose as the sugar portion. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a dTDP-alpha-D-glucose(2-). | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
DTDP-4-dehydro-beta-L-rhamnose is a dTDP-sugar having 4-dehydro-beta-L-rhamnose as the sugar component. It is an intermediate in dTDP-rhamnose biosynthesis. It is a conjugate acid of a dTDP-4-dehydro-beta-L-rhamnose(2-). | C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O |
4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol is a 3beta-sterol and a Delta(14) steroid. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It derives from a hydride of a 5alpha-cholestane. | C[C@H](CCC=C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C |
Cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol is an organic hydroxy compound and a cyclohexadienediol. | CC(C1=CC=C[C@@H]([C@@H]1O)O)C(=O)O |
DTDP-4-oxo-5-C-methyl-L-rhamnose is a pyrimidine nucleotide-sugar. | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@@H](C(=O)C(O3)(C)C)O)O)O |
DTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose is a pyrimidine nucleotide-sugar. | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@@H]([C@@H](C(O3)(C)C)N)O)O)O |
3-Hydroxy-L-tyrosyl-AMP is a polyol. | C1=CC(=C(C=C1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N)O)O |
D-glycero-D-manno-heptose 1,7-bisphosphate is d-glycero-D-manno-heptose in which the hydrogens of the hydroxy groups at positions 1 and 7 are substituted by dihydrogen phosphate groups. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a D-glycero-D-manno-heptose 1,7-bisphosphate(4-). | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
(R)-2-hydroxypropyl-CoM is a 2-hydroxypropyl-CoM. It is a conjugate acid of a (R)-2-hydroxypropyl-CoM(1-). It is an enantiomer of a (S)-2-hydroxypropyl-CoM. | C[C@H](CSCCS(=O)(=O)O)O |
(S)-2-hydroxypropyl-CoM is a 2-hydroxypropyl-CoM. It is a conjugate acid of a (S)-2-hydroxypropyl-CoM(1-). It is an enantiomer of a (R)-2-hydroxypropyl-CoM. | C[C@@H](CSCCS(=O)(=O)O)O |
(S)-3-sulfolactic acid is a 3-sulfolactic acid. It is a conjugate acid of a (S)-3-sulfonatolactate(2-). It is an enantiomer of a (R)-3-sulfolactic acid. | C([C@H](C(=O)O)O)S(=O)(=O)O |
5'-dehydroadenosine is a member of the class of adenosines that is 5'-dehydro derivative of adenosine. | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=O)O)O)N |
4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol is a 3beta-sterol that is methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol carrying an additional 4alpha-methyl substituent. It has a role as a mouse metabolite. It is a 3beta-sterol and a Delta(14) steroid. It derives from a hydride of a 5alpha-ergostane. | C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4(C3=CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C |
(3S,4S,5R,10R,13R,14R,17R)-3-Hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde is a cholestanoid. | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C |
(3S)-3-hydroxy-L-aspartic acid is the (3S)-diastereomer of 3-hydroxy-L-aspartic acid. It has a role as a metabolite. It is a conjugate acid of a (3S)-3-hydroxy-L-aspartate(2-) and a (3S)-3-hydroxy-L-aspartate(1-). It is an enantiomer of a (3R)-3-hydroxy-D-aspartic acid. | [C@H]([C@@H](C(=O)O)O)(C(=O)O)N |
2-(alpha-D-mannosyl)-3-phosphoglyceric acid is a is a monophosphoglyceric acid having the phosphate group at the 3-position as well as an alpha-D-mannosyl residue attached at the 2-position. It is a conjugate acid of a 2-(alpha-D-mannosyl)-3-phosphonatoglycerate(3-). | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(COP(=O)(O)O)C(=O)O)O)O)O)O |
UDP-6-sulfoquinovose is a UDP-sugar having 6-sulfoquinovose as the sugar component. It is an UDP-sugar and a carbohydrate sulfonate. It is functionally related to a quinovose. It is a conjugate acid of an UDP-6-sulfoquinovose(3-). | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O |
5-diphospho-1D-myo-inositol pentakisphosphate is a myo-inositol pentakisphosphate that consists of 1D-myo-inositol having the five phospho groups located at positions 1, 2, 3, 4 and 6 as well as a diphospho group at position 5. It has a role as a human metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 5-diphospho-1D-myo-inositol pentakisphosphate(13-). | [C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
Beta-D-Xylp-(1->6)-beta-D-Glcp is a beta-D-Xylp-(1->6)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O |
(2R)-O-phospho-3-sulfolactic acid is a carboxyalkyl phosphate and a carboxyalkanesulfonic acid. It is functionally related to a rac-lactic acid. It is a conjugate acid of a (2R)-2-O-phosphonato-3-sulfonatolactate(4-). | C([C@@H](C(=O)O)OP(=O)(O)O)S(=O)(=O)O |
(R)-3-sulfolactic acid is the (R)-enantiomer of 3-sulfolactic acid. It is a conjugate acid of a (R)-3-sulfolactate. It is an enantiomer of a (S)-3-sulfolactic acid. | C([C@@H](C(=O)O)O)S(=O)(=O)O |
2-O-(beta-D-glucosyl)glycerol is a glucosylglycerol consisting of a beta-D-glucosyl residue attached at position 2 of glycerol via a glycosidic bond. It has a role as an Arabidopsis thaliana metabolite and a human blood serum metabolite. It is a beta-D-glucoside and a glucosylglycerol. | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CO)CO)O)O)O)O |
1D-myo-inositol 1,4,5,6-tetrakisphosphate is a myo-inositol tetrakisphosphate having the four phosphate groups at the 1-, 4-, 5- and 6-positions. It has a role as a mouse metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1,4,5,6-tetrakisphosphate(8-). | [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
BQ 123 is a cyclic peptide. | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43 |
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid. It is a conjugate acid of a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate. It is an enantiomer of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid. | C1=C[C@@H]([C@@H](C(=C1)CCC(=O)O)O)O |
BQ 518 is a cyclic peptide. | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C3=CC=CS3)CC(=O)O)CC4=CNC5=CC=CC=C54 |