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CHEBI:212188 - (3beta,4alpha,5alpha)-4-Methylcholest-8-en-3-OL

ChEBI IDCHEBI:212188
ChEBI Name(3beta,4alpha,5alpha)-4-Methylcholest-8-en-3-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3
InChIInChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24?,26+,27-,28+/m1/s1
InChIKeySCEZIHJVTBQOLS-NOOOKHSVSA-N
Species of MetaboliteComponentSourceComments
Methylococcus capsulatus (ncbitaxon:414) - PubMed (4929985)
ChEBI Ontology
Outgoing Relation(s)
(3beta,4alpha,5alpha)-4-Methylcholest-8-en-3-OL (CHEBI:212188) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol