CHEBI:187433 - 5alpha-cholestan-3alpha,12alpha,16alpha-triol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5alpha-cholestan-3alpha,12alpha,16alpha-triol
ChEBI ID CHEBI:187433
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H48O3
Net Charge 0
Average Mass 420.678
Monoisotopic Mass 420.36035
InChI InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)25-23(29)14-22-20-10-9-18-13-19(28)11-12-26(18,4)21(20)15-24(30)27(22,25)5/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey UYOSSIFSBNNKRC-XJZYBRFWSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(C[C@@H](O)[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 5alpha-cholestan-3alpha,12alpha,16alpha-triol (CHEBI:187433) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3R,5S,8R,9S,10S,12S,13S,14S,16R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12,16-triol
Manual Xrefs Databases
24627321 ChemSpider
LMST01010335 LIPID MAPS
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