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CHEBI:86167 - 1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86167
ChEBI Name1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and eicosanoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H92NO8P
Net Charge0
Average Mass818.215
Monoisotopic Mass817.65606
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
InChIKeyZNSGCWMTNLBFEQ-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-octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86167) has functional parent icosanoic acid (CHEBI:28822)
1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86167) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86167) is a phosphatidylcholine 38:0 (CHEBI:66861)
IUPAC Name 
(2R)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:0/20:0)HMDB
GPCho(18:0/20:0)HMDB
Phosphatidylcholine(18:0/20:0)HMDB
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
LMGP01010781LIPID MAPS
HMDB0008043HMDB