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CHEBI:199339 - 5a-Cholestan-3beta-ol

ChEBI IDCHEBI:199339
ChEBI Name5a-Cholestan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O
Net Charge0
Average Mass388.680
Monoisotopic Mass388.37052
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22?,23-,24?,25?,26+,27-/m1/s1
InChIKeyQYIXCDOBOSTCEI-LFBIJMMSSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/0031-9422(95)00778-4)
ChEBI Ontology
Outgoing Relation(s)
5a-Cholestan-3beta-ol (CHEBI:199339) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,10S,13R,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]phenanthren-3-ol
Manual XrefsDatabases
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