CHEBI:186325 - (25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol

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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 (25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol
ChEBI ID CHEBI:186325
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O8
Net Charge 0
Average Mass 500.673
Monoisotopic Mass 500.33492
InChI InChI=1S/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3/t13-,14+,15-,16+,17-,18+,19-,20+,21+,22+,23+,24+,25+,26+,27-/m0/s1
InChIKey VYOXQPQXOVKJIA-WPTRXYKQSA-N
SMILES O[C@]12[C@]3([C@@]([C@]([C@@H](O)[C@H]3O)([C@@H](CCC[C@@H](CO)C)C)[H])(CC[C@@]1([C@@]4([C@@]([C@@H](O)[C@H]2O)([C@@H](O)[C@@H](O)CC4)[H])C)[H])C)[H]
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 (25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol (CHEBI:186325) is a steroid (CHEBI:35341)
IUPAC Name
(3S,4R,5R,6R,7R,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,7,8,15,16-heptol
Manual Xrefs Databases
29216069 ChemSpider
LMST01010322 LIPID MAPS
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