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CHEBI:186299 - PA(22:1(11Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:186299
ChEBI NamePA(22:1(11Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H87O8P
Net Charge0
Average Mass811.179
Monoisotopic Mass810.61386
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C47H87O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23,45H,3-11,13,15-17,19,22,24-44H2,1-2H3,(H2,50,51,52)/b14-12-,20-18-,23-21-/t45-/m1/s1
InChIKeyNVTMJZUBJMUXTG-OAPRTTEVSA-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)/22:2(13Z,16Z)) (CHEBI:186299) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-phosphonooxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010752LIPID MAPS
113379250ChemSpider