EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208510 - Micaceol

ChEBI IDCHEBI:208510
ChEBI NameMicaceol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILESC=C1C2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O
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/h11,18-19,21-22,24-26,29H,4,7-10,12-17H2,1-3,5-6H3/t19-,21+,22-,24+,25+,26+,27-,28+/m1/s1
InChIKeyDQZXJJBRXCUVKA-XJLJMEKPSA-N
Species of MetaboliteComponentSourceComments
Coprinus (ncbitaxon:5345) - PubMed (17393652)
ChEBI Ontology
Outgoing Relation(s)
Micaceol (CHEBI:208510) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-methylidene-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
78438451ChemSpider