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CHEBI:86171 - 1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86171
ChEBI Name1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are eicosanoyl and (9Z)-octadecenoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H90NO8P
Net Charge0
Average Mass816.199
Monoisotopic Mass815.64041
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1
InChIKeyIKNYBQRADNMEDT-FHLWKLDVSA-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-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86171) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86171) has functional parent oleic acid (CHEBI:16196)
1-eicosanoyl-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86171) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name 
(2R)-3-(icosanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(20:0/18:1(9Z))LIPID MAPS
Phosphatidylcholine(20:0/18:1)HMDB
Phosphatidylcholine(20:0/18:1n9)HMDB
Phosphatidylcholine(20:0/18:1w9)HMDB
GPCho(20:0/18:1)HMDB
PC(20:0/18:1n9)HMDB
Manual XrefsDatabases
LMGP01011010LIPID MAPS
HMDB0008269HMDB