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CHEBI:187003 - PA(22:1(11Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:187003
ChEBI NamePA(22:1(11Z)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83O8P
Net Charge0
Average Mass783.125
Monoisotopic Mass782.58256
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H83O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,43H,3-11,13,15-17,19,23-42H2,1-2H3,(H2,48,49,50)/b14-12-,20-18-,22-21-/t43-/m1/s1
InChIKeyGGKJUGUIODLCOM-MEGKGTINSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(22:1(11Z)/20:2(11Z,14Z)) (CHEBI:187003) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-phosphonooxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010745LIPID MAPS
113379243ChemSpider