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CHEBI:184252 - PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:184252
ChEBI NamePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H82NO8P
Net Charge0
Average Mass856.179
Monoisotopic Mass855.57781
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,36,38,48H,6-7,9,11-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1
InChIKeyJVDHUVBREDGBHS-LTJMKADPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) (CHEBI:184252) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767399ChemSpider
HMDB0008738HMDB
LMGP01012118LIPID MAPS