oxycholin Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

402.5238

ALogP

4.07

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O
  • InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N
    1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL514446   ChEMBL
dehydrocholic acid

NH5000009I   NCATS
dehydrocholic acid *

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