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CHEBI:86168 - 1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86168
ChEBI Name1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and docosanoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H92NO8P
Net Charge0
Average Mass818.215
Monoisotopic Mass817.65606
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
InChIKeyGHBAFISLPNCOEP-USYZEHPZSA-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-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86168) has functional parent docosanoic acid (CHEBI:28941)
1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86168) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86168) is a phosphatidylcholine 38:0 (CHEBI:66861)
IUPAC Name 
(2R)-2-(docosanoyloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Palmitoyl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
GPCho(16:0/22:0)HMDB
PC(16:0/22:0)LIPID MAPS
Phosphatidylcholine(16:0/22:0)HMDB
Manual XrefsDatabases
HMDB0007985HMDB
LMGP01010636LIPID MAPS