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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:35:41 UTC
Update Date2024-04-30 19:31:51 UTC
Metabolite IDMMDBc0000339
Metabolite Identification
Common Name3b-Hydroxy-5-cholenoic acid
Description
Structure
Synonyms
Molecular FormulaC24H38O3
Average Mass374.5567
Monoisotopic Mass374.282095082
IUPAC Name(4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid
Traditional Name(4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
InChI Identifier
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChI KeyHIAJCGFYHIANNA-QIZZZRFXSA-N