Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04TMV
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| Former ID |
DNC003388
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| Drug Name |
3r-Hydroxydecanoyl-Coa
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| Synonyms |
3R-HYDROXYDECANOYL-COA; 3R-HYDROXYDECANOYL-COENZYME A; (R)-3-hydroxydecanoyl-CoA; AC1L9LCA; CHEBI:74405; (R)-3-hydroxydecanoyl-coenzyme A; DB03192; S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C31H54N7O18P3S
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| Canonical SMILES |
CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
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| InChI |
1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1
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| InChIKey |
HIVSMYZAMUNFKZ-PDQACDDGSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:74405
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estradiol 17 beta-dehydrogenase 4 (HSD17B4) | Target Info | Inhibitor | [1] |
| BioCyc | Fatty acid beta-oxidation (peroxisome) | |||
| KEGG Pathway | Primary bile acid biosynthesis | |||
| Metabolic pathways | ||||
| Peroxisome | ||||
| Pathwhiz Pathway | Bile Acid Biosynthesis | |||
| WikiPathways | Steroid Biosynthesis | |||
| alpha-linolenic (omega3) and linoleic (omega6) acid metabolism | ||||
| Prostate Cancer | ||||
| Peroxisomal beta-oxidation of tetracosanoyl-CoA | ||||
| Peroxisomal lipid metabolism | ||||
| Bile acid and bile salt metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||
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