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CHEBI:187989 - 3alpha,7beta,21chi-Trihydroxy-5beta-cholan-24-oic Acid

ChEBI IDCHEBI:187989
ChEBI Name3alpha,7beta,21chi-Trihydroxy-5beta-cholan-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](CO)CCC(=O)O)[C@]1([H])[C@@H](O)C2
InChIInChI=1S/C24H40O5/c1-23-9-7-16(26)11-15(23)12-20(27)22-18-5-4-17(14(13-25)3-6-21(28)29)24(18,2)10-8-19(22)23/h14-20,22,25-27H,3-13H2,1-2H3,(H,28,29)/t14-,15-,16+,17+,18-,19-,20-,22-,23-,24+/m0/s1
InChIKeyTWCXLQXSLBRURL-ASYSNUCISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3alpha,7beta,21chi-Trihydroxy-5beta-cholan-24-oic Acid (CHEBI:187989) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxypentanoic acid
Manual XrefsDatabases
4447090ChemSpider
LMST04010248LIPID MAPS