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CHEBI:86164 - 1-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86164
ChEBI Name1-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and hexadecanoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H92NO8P
Net Charge0
Average Mass818.215
Monoisotopic Mass817.65606
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
InChIKeyOPUHJIZEYAXETG-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-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86164) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86164) has functional parent hexadecanoic acid (CHEBI:15756)
1-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86164) is a phosphatidylcholine 38:0 (CHEBI:66861)
IUPAC Name 
(2R)-3-(docosanoyloxy)-2-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-Behenoyl-2-palmitoyl-sn-glycero-3-phosphocholineHMDB
GPCho(22:0/16:0)HMDB
PC(22:0/16:0)HMDB
Phosphatidylcholine(22:0/16:0)HMDB
Manual XrefsDatabases
HMDB0008528HMDB