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CHEBI:186227 - PA(22:0/20:2(11Z,14Z))

ChEBI IDCHEBI:186227
ChEBI NamePA(22:0/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O8P
Net Charge0
Average Mass785.141
Monoisotopic Mass784.59821
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H85O8P/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/h12,14,18,20,43H,3-11,13,15-17,19,21-42H2,1-2H3,(H2,48,49,50)/b14-12-,20-18-/t43-/m1/s1
InChIKeyKTDMYJDOWSUGOT-RNLCRUPCSA-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(22:0/20:2(11Z,14Z)) (CHEBI:186227) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-phosphonooxypropyl] docosanoate
Manual XrefsDatabases
74877327ChemSpider
HMDB0115589HMDB
LMGP10010716LIPID MAPS