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CHEBI:183816 - Cholesteryl laurate

ChEBI IDCHEBI:183816
ChEBI NameCholesteryl laurate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H68O2
Net Charge0
Average Mass568.971
Monoisotopic Mass568.52193
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33+,34-,35+,36+,38+,39-/m1/s1
InChIKeyRMLFYKFCGMSLTB-ZBDFTZOCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
Cholesteryl laurate (CHEBI:183816) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
Manual XrefsDatabases
HMDB0002262HMDB
92314ChemSpider
LMST01020001LIPID MAPS
Registry NumbersSources
CAS:1908-11-8ChemIDplus