EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187836 - Campestanyl-16:0

ChEBI IDCHEBI:187836
ChEBI NameCampestanyl-16:0
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80O2
Net Charge0
Average Mass641.122
Monoisotopic Mass640.61583
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C2
InChIInChI=1S/C44H80O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h33-41H,8-32H2,1-7H3/t34-,35-,36+,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChIKeyXVIFXAAFEURGNL-HCVFKDEGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Campestanyl-16:0 (CHEBI:187836) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
Manual XrefsDatabases
113385166ChemSpider
LMST01020095LIPID MAPS