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CHEBI:156200 - 1,3,12-Trihydroxycholan-24-oic acid

ChEBI IDCHEBI:156200
ChEBI Name1,3,12-Trihydroxycholan-24-oic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILES[H][C@@]12CCC3CC(O)CC(O)[C@]3(C)[C@@]1([H])CC(O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15?,16+,17-,18+,19+,20?,21?,23+,24-/m1/s1
InChIKeyDAKYVYUAVGJDRK-JZBKOBKOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,3,12-Trihydroxycholan-24-oic acid (CHEBI:156200) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(8S,9S,10S,13R,14S,17R)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid