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CHEBI:212193 - (3beta,4alpha,5alpha)-4-Methylcholesta-8(14),24-dien-3-OL

ChEBI IDCHEBI:212193
ChEBI Name(3beta,4alpha,5alpha)-4-Methylcholesta-8(14),24-dien-3-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILESCC(C)=CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C28H46O/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/h8,19-20,22-23,25-26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,25?,26+,27-,28+/m1/s1
InChIKeyVUCKOSSMMLWAEH-RZKPHVKASA-N
Species of MetaboliteComponentSourceComments
Methylococcus capsulatus (ncbitaxon:414) - PubMed (4929985)
ChEBI Ontology
Outgoing Relation(s)
(3beta,4alpha,5alpha)-4-Methylcholesta-8(14),24-dien-3-OL (CHEBI:212193) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol