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CHEBI:131655 - 1-hexadecanoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:131655
ChEBI Name1-hexadecanoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as hexadecanoyl and (5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoyl respectively.
Last Modified15 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC44H80NO9P
Net Charge0
Average Mass798.096
Monoisotopic Mass797.55707
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H80NO9P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-33-41(46)34-32-36-44(48)54-42(40-53-55(49,50)52-38-37-45(3,4)5)39-51-43(47)35-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,30,33,41-42,46H,6-13,15,17-19,21,23-25,27,29,31-32,34-40H2,1-5H3/b16-14-,22-20-,28-26-,33-30+/t41-,42-/m1/s1
InChIKeyIVTVKFZMSCWBFZ-NLLFLACQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- PubMed (27471436)
- MetaboLights (MTBLS334)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:131655) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:131655) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:131655) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/20:4(6E,8Z,11Z,14Z)(5OH[S]))ChEBI
1-palmitoyl-2-[(5S,6E,8Z,11Z,14Z)-5-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholineChEBI
1-hexadecanoyl-2-(5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholineLIPID MAPS
16:0/5-HETE-PCLIPID MAPS
Manual XrefsDatabases
LMGP20010003LIPID MAPS
Registry NumbersSources
Reaxys:30084826Reaxys
Citations