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Substance Name: Chol-3-en-24-oic acid
RN: 28083-35-4
InChIKey: SXFVKYLIXKBAPY-MMOTYBJASA-N

Note

  • A bacterial metabolite of sulpholithocholic acid.

Molecular Formula

  • C24-H38-O2

Molecular Weight

  • 358.562
 
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Names and Synonyms

Name of Substance

  • Chol-3-en-24-oic acid

Synonym

  • 5beta-Chol-3-ene-24-oic acid

Systematic Name

  • Chol-3-en-24-oic acid, (5beta)-

Registry Numbers

CAS Registry Number

  • 28083-35-4

System Generated Number

  • 0028083354

Structure Descriptors

InChI

1S/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4,6,16-21H,5,7-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19?,20+,21+,23+,24-/m1/s1

InChIKey

SXFVKYLIXKBAPY-MMOTYBJASA-N

Smiles

C=1CC[C@@]2([C@H]3CC[C@@]4([C@@H]([C@@H](CCC(=O)O)C)CC[C@@H]4[C@@H]3CC[C@H]2C1)C)C