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CHEBI:196593 - 3beta,19-Dihydroxychol-5-en-24-oic Acid

Default Structure
ChEBI IDCHEBI:196593
ChEBI Name3beta,19-Dihydroxychol-5-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(CO)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H38O4/c1-15(3-8-22(27)28)19-6-7-20-18-5-4-16-13-17(26)9-12-24(16,14-25)21(18)10-11-23(19,20)2/h4,15,17-21,25-26H,3,5-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19-,20+,21+,23-,24-/m1/s1
InChIKeyDRRSNCIMGYJXBW-PABOKLNHSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta,19-Dihydroxychol-5-en-24-oic Acid (CHEBI:196593) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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