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CHEBI:84827 - 1-[(9Z)-octadecenyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84827
ChEBI Name1-[(9Z)-octadecenyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-38:5 in which the alkenyl group at position 1 is (9Z)-octadecenyl and the acyl group at position 2 is (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC46H84NO7P
Net Charge0
Average Mass794.152
Monoisotopic Mass793.59854
SMILES[H][C@@](COCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,45H,6-13,15,17-19,24,26,28-30,32,34-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-/t45-/m1/s1
InChIKeyVJNPDLZENXBRLB-MQEDXBOASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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-[(9Z)-octadecenyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84827) has functional parent arachidonic acid (CHEBI:15843)
1-[(9Z)-octadecenyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84827) has role mouse metabolite (CHEBI:75771)
1-[(9Z)-octadecenyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84827) is a phosphatidylcholine O-38:5 (CHEBI:64445)
IUPAC Name 
(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-octadec-9-en-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(O-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))LIPID MAPS
PC(O-18:1/20:4)LIPID MAPS
Manual XrefsDatabases
LMGP01020157LIPID MAPS