EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75017 - 1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:75017
ChEBI Name1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 28:0 in which the two acyl substituents at positions 1 and 2 are specified as lauroyl and palmitoyl respectively.
Last Modified8 December 2016
Submitterlaimo
DownloadsMolfile
FormulaC36H72NO8P
Net Charge0
Average Mass677.945
Monoisotopic Mass677.49955
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-20-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1
InChIKeyQQCURFHAGLMXKE-UUWRZZSWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75017) is a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:75279)
1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75017) is a dodecanoate ester (CHEBI:87659)
1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:75017) is a phosphatidylcholine 28:0 (CHEBI:65294)
IUPAC Name 
(2R)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-dodecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine betaineSUBMITTER
1-C12:0-2-C16:0-phosphatidylcholine betaineSUBMITTER
PC(12:0/16:0)LIPID MAPS
(2R)-3-(dodecanoyloxy)-2-(palmitoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphateIUPAC
UniProt Name  Source
1-dodecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010435LIPID MAPS