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CHEBI:196599 - 3beta,7alpha-Dihydroxychol-4-en-24-oic Acid

ChEBI IDCHEBI:196599
ChEBI Name3beta,7alpha-Dihydroxychol-4-en-24-oic Acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)CC1=C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,16-20,22,25-26H,4-11,13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKeyHCXLGXVBNGIUAC-YCBRVCGJSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta,7alpha-Dihydroxychol-4-en-24-oic Acid (CHEBI:196599) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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