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CHEBI:3663 - cholesteryl palmitate

ChEBI IDCHEBI:3663
ChEBI Namecholesteryl palmitate
Stars
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with palmitic acid.
Secondary ChEBI IDCHEBI:84319
Last Modified11 May 2016
Submitternamrata
DownloadsMolfile
FormulaC43H76O2
Net Charge0
Average Mass625.079
Monoisotopic Mass624.58453
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCCCCCCCC)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/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
InChIKeyBBJQPKLGPMQWBU-JADYGXMDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
cholesteryl palmitate (CHEBI:3663) has functional parent hexadecanoic acid (CHEBI:15756)
cholesteryl palmitate (CHEBI:3663) has role human metabolite (CHEBI:77746)
cholesteryl palmitate (CHEBI:3663) has role mouse metabolite (CHEBI:75771)
cholesteryl palmitate (CHEBI:3663) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
(3β)-cholest-5-en-3-yl hexadecanoate
Synonyms  Source
Cholesteryl palmitateKEGG COMPOUND
cholesterol palmitateNIST Chemistry WebBook
cholesteryl hexadecanoateChemIDplus
hexadecanoic acid, cholesteryl esterChemIDplus
(3β)-cholest-5-en-3-ol hexadecanoateNIST Chemistry WebBook
16:0 Cholesterol esterHMDB
UniProt Name  Source
cholesteryl hexadecanoateUniProt
Manual XrefsDatabases
C11251KEGG COMPOUND
LMST01020005LIPID MAPS
HMDB0000885HMDB
Registry NumbersSources
Reaxys:2342867Reaxys
CAS:601-34-3KEGG COMPOUND
CAS:601-34-3NIST Chemistry WebBook
CAS:601-34-3ChemIDplus
Citations