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CHEBI:177015 - PA(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:177015
ChEBI NamePA(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H73O8P
Net Charge0
Average Mass773.045
Monoisotopic Mass772.50431
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChIInChI=1S/C45H73O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24,28,30,34,36,43H,3-4,6,8-10,15-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3,(H2,48,49,50)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m1/s1
InChIKeyXLZZQVAHYWNCGB-QJWQWIMRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PA(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:177015) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-1-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-phosphonooxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0115557HMDB
LMGP10010586LIPID MAPS
74877295ChemSpider