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CHEBI:86177 - 1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86177
ChEBI Name1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:3 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.
Last Modified5 October 2016
Submitternamrata
DownloadsMolfile
FormulaC46H86NO8P
Net Charge0
Average Mass812.167
Monoisotopic Mass811.60911
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H86NO8P/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/h14,16,20,22,25,27,44H,6-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b16-14-,22-20-,27-25-/t44-/m1/s1
InChIKeyVGSUMLIRUGDCTF-NSMRCOLJSA-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-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86177) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86177) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86177) is a 1-stearoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine (CHEBI:133633)
IUPAC Name 
(2R)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:0/20:3(8Z,11Z,14Z))LIPID MAPS
PC(18:0/20:3)HMDB
Phosphatidylcholine(18:0/20:3n6)HMDB
PC(18:0/20:3w6)HMDB
Phosphatidylcholine(18:0/20:3w6)HMDB
1-Stearoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
LMGP01010799LIPID MAPS
HMDB0008047HMDB