EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166792 - Cholesta-5,7-diene-1,3-diol

ChEBI IDCHEBI:166792
ChEBI NameCholesta-5,7-diene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)C[C@H](O)[C@@]21C
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9-10,17-18,20,22-25,28-29H,6-8,11-16H2,1-5H3/t18-,20-,22-,23+,24+,25+,26-,27+/m1/s1
InChIKeyPJEIBQWLLDBCCO-FDUUVPPLSA-N
ChEBI Ontology
Outgoing Relation(s)
Cholesta-5,7-diene-1,3-diol (CHEBI:166792) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Manual XrefsDatabases
168208ChemSpider
LMST01010122LIPID MAPS
Registry NumbersSources
CAS:43217-89-6ChemIDplus