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 No supplier information found for this compound.
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