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CHEBI:212200 - (3beta,4alpha,5alpha)-4,4-Dimethylcholest-8-en-3-OL

ChEBI IDCHEBI:212200
ChEBI Name(3beta,4alpha,5alpha)-4,4-Dimethylcholest-8-en-3-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1
InChIKeyFYHRVINOXYETMN-HFPXORMNSA-N
Species of MetaboliteComponentSourceComments
Methylococcus capsulatus (ncbitaxon:414) - PubMed (4929985)
ChEBI Ontology
Outgoing Relation(s)
(3beta,4alpha,5alpha)-4,4-Dimethylcholest-8-en-3-OL (CHEBI:212200) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
30792004ChemSpider
C15915KEGG COMPOUND
HMDB0006840HMDB