EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186771 - DHCEO

ChEBI IDCHEBI:186771
ChEBI NameDHCEO
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12CC[C@@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC(=O)[C@@]2(O)C[C@@H](O)CC[C@]12C
InChIInChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h15,17-19,21-23,28,30H,6-14,16H2,1-5H3/t18-,19+,21+,22+,23+,25-,26-,27+/m1/s1
InChIKeyOGZFTYMLHGZVCH-GJQHYQARSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
DHCEO (CHEBI:186771) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5R,9S,10R,13R,14R,17S)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
113385022ChemSpider
LMST01010260LIPID MAPS