Drug General Information
Drug ID
D04TMV
Former ID
DNC003388
Drug Name
3r-Hydroxydecanoyl-Coa
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551391]
Structure
Download
2D MOL

3D MOL

Formula
C31H54N7O18P3S
Canonical SMILES
CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=<br />O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O
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
InChIKey
HIVSMYZAMUNFKZ-PDQACDDGSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 4 Target Info Inhibitor [551391]
BioCyc Pathway 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
Ref 551391DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January
Ref 551391DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January

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