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CHEBI:188009 - 5-Cholestene-3beta,7alpha,12alpha,24-tetrol

ChEBI IDCHEBI:188009
ChEBI Name5-Cholestene-3beta,7alpha,12alpha,24-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(O)C(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C27H46O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h13,15-16,18-25,28-31H,6-12,14H2,1-5H3/t16-,18+,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1
InChIKeyIQROOGHDKSUPMU-OAWLOEJQSA-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)
5-Cholestene-3beta,7alpha,12alpha,24-tetrol (CHEBI:188009) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,7S,8R,9S,10R,12S,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
4447332ChemSpider
LMST04030077LIPID MAPS