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CHEBI:193403 - (25S)-5alpha-cholestan-3beta,6alpha,8beta,15alpha,16beat,26-hexol

ChEBI IDCHEBI:193403
ChEBI Name(25S)-5alpha-cholestan-3beta,6alpha,8beta,15alpha,16beat,26-hexol
Stars
Last Modified4 January 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O6
Net Charge0
Average Mass468.675
Monoisotopic Mass468.34509
SMILES[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@]3([H])[C@@H](O)C[C@]12O
InChIInChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,23-,24+,25-,26+,27-/m0/s1
InChIKeyJBQJBUSSZCBEON-WNSLYAHASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
(25S)-5alpha-cholestan-3beta,6alpha,8beta,15alpha,16beat,26-hexol (CHEBI:193403) is a (9ξ,14ξ,25S)-cholestane-3β,6α,8,15α,16β,26-hexol (CHEBI:228369)
IUPAC Name 
(3S,5S,6S,8S,9R,10S,13R,14S,15R,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-3,6,8,15,16-pentol
Manual XrefsDatabases
29215993ChemSpider
LMST01010325LIPID MAPS