EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166793 - Doristerol

ChEBI IDCHEBI:166793
ChEBI NameDoristerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O
Net Charge0
Average Mass386.664
Monoisotopic Mass386.35487
SMILES[H][C@@]12CCC3=C4CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H46O/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/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKeyONYPIMNXSARKFQ-NFTYELEKSA-N
ChEBI Ontology
Outgoing Relation(s)
Doristerol (CHEBI:166793) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
HMDB0029815HMDB
4446757ChemSpider
LMST01010097LIPID MAPS