CHEBI:183816 - Cholesteryl laurate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cholesteryl laurate
ChEBI ID CHEBI:183816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H68O2
Net Charge 0
Average Mass 568.971
Monoisotopic Mass 568.52193
InChI InChI=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
InChIKey RMLFYKFCGMSLTB-ZBDFTZOCSA-N
SMILES O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)C(=O)CCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
92314 ChemSpider
HMDB0002262 HMDB
LMST01020001 LIPID MAPS
View more database links
Registry Number Type Source
1908-11-8 CAS Registry Number ChemIDplus