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CHEBI:133745 - cholesteryl nonadecanoate

ChEBI IDCHEBI:133745
ChEBI Namecholesteryl nonadecanoate
Stars
DefinitionA cholesterol ester derived obtained by formal condensation of the carboxy group of nonadecanoic acid with the 3-hydroxy group of cholesterol.
Last Modified29 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC46H82O2
Net Charge0
Average Mass667.160
Monoisotopic Mass666.63148
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCCCCCCCCCCC)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/C46H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-44(47)48-39-31-33-45(5)38(35-39)27-28-40-42-30-29-41(37(4)25-23-24-36(2)3)46(42,6)34-32-43(40)45/h27,36-37,39-43H,7-26,28-35H2,1-6H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
InChIKeyVHYWECIJXTVRSG-TVDLSCFRSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS358)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
cholesteryl nonadecanoate (CHEBI:133745) has functional parent nonadecanoic acid (CHEBI:39246)
cholesteryl nonadecanoate (CHEBI:133745) has role human blood serum metabolite (CHEBI:85234)
cholesteryl nonadecanoate (CHEBI:133745) is a cholesteryl ester (CHEBI:17002)
Synonyms  Source
CE(19:0)ChEBI
CE 19:0ChEBI
19:0 Cholesteryl esterLIPID MAPS
19:0 Cholesterol esterHMDB
Cholest-5-en-3beta-yl nonadecanoateHMDB
cholest-5-en-3β-yl nonadecanoateLIPID MAPS
Manual XrefsDatabases
20118443ChemSpider
LMST01020002LIPID MAPS
HMDB0006738HMDB
Registry NumbersSources
CAS:25605-90-7HMDB