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CHEBI:185502 - 5-Cholestene-3beta,7alpha,12alpha,24,25-pentol

ChEBI IDCHEBI:185502
ChEBI Name5-Cholestene-3beta,7alpha,12alpha,24,25-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O5
Net Charge0
Average Mass450.660
Monoisotopic Mass450.33452
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(O)C(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/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h13,15,17-24,28-32H,6-12,14H2,1-5H3/t15-,17+,18-,19+,20+,21-,22?,23+,24+,26+,27-/m1/s1
InChIKeySNQPKFZFBIAYOD-YQDHNXBKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5-Cholestene-3beta,7alpha,12alpha,24,25-pentol (CHEBI:185502) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,7S,8R,9S,10R,12S,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-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
4447335ChemSpider
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