Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04TMV
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| Former ID |
DNC003388
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| Drug Name |
3r-Hydroxydecanoyl-Coa
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [551391] | ||
| 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(=<br />O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)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 | |||||
| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 4 | Target Info | Inhibitor | [551391] | |
| BioCyc Pathway | Fatty acid beta-oxidation (peroxisome) | ||||
| PathWhiz Pathway | Bile Acid Biosynthesis | ||||
| References | |||||
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