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CHEBI:187973 - 5-Cholestene-3beta,7alpha,12alpha,25-tetrol

ChEBI IDCHEBI:187973
ChEBI Name5-Cholestene-3beta,7alpha,12alpha,25-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[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/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h14,16,18-24,28-31H,6-13,15H2,1-5H3/t16-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyJXOONYLTXXUPAI-HGDGZPEBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
5-Cholestene-3beta,7alpha,12alpha,25-tetrol (CHEBI:187973) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,7S,8R,9S,10R,12S,13R,14S,17R)-17-[(2R)-6-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
LMST04030078LIPID MAPS
4447333ChemSpider