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CHEBI:131654 - 1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:131654
ChEBI Name1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-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 (5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl respectively.
Last Modified15 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC44H80NO9P
Net Charge0
Average Mass798.096
Monoisotopic Mass797.55707
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H80NO9P/c1-6-8-10-12-14-15-16-17-18-19-23-27-31-35-43(47)51-39-42(40-53-55(49,50)52-38-37-45(3,4)5)54-44(48)36-32-28-24-21-20-22-26-30-34-41(46)33-29-25-13-11-9-7-2/h21-22,24-26,29-30,34,41-42,46H,6-20,23,27-28,31-33,35-40H2,1-5H3/b24-21-,26-22-,29-25-,34-30+/t41-,42+/m0/s1
InChIKeyYQWFSBLEXGUMGO-GZXBEVTESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- MetaboLights (MTBLS334)
- PubMed (27471436)
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-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:131654) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:131654) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:131654) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-hexadecanoyl-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholineLIPID MAPS
16:0/12-HETE PCLIPID MAPS
PC(16:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))LIPID MAPS
1-palmitoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholineChEBI
Manual XrefsDatabases
LMGP20010002LIPID MAPS
Registry NumbersSources
Reaxys:30084825Reaxys
Citations