CHEBI:133745 - cholesteryl nonadecanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesteryl nonadecanoate
ChEBI ID CHEBI:133745
Definition A cholesterol ester derived obtained by formal condensation of the carboxy group of nonadecanoic acid with the 3-hydroxy group of cholesterol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C46H82O2
Net Charge 0
Average Mass 667.144
Monoisotopic Mass 666.63148
InChI InChI=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
InChIKey VHYWECIJXTVRSG-TVDLSCFRSA-N
SMILES C(CCCCCCCC)CCCCCCCCCC(O[C@@H]1CC=2[C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])(C)CC1)=O
Metabolite of Species Details
Homo Sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
19:0 Cholesterol ester HMDB
19:0 Cholesteryl ester LIPID MAPS
CE 19:0 ChEBI
CE(19:0) ChEBI
Cholest-5-en-3beta-yl nonadecanoate HMDB
cholest-5-en-3β-yl nonadecanoate LIPID MAPS
nonadecanoylcholesterol ChEBI
Manual Xrefs Databases
20118443 ChemSpider
HMDB0006738 HMDB
LMST01020002 LIPID MAPS
View more database links
Registry Number Type Source
25605-90-7 CAS Registry Number HMDB
Last Modified
29 March 2017