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CHEBI:187255 - PA(18:2(9Z,12Z)/22:0)

ChEBI IDCHEBI:187255
ChEBI NamePA(18:2(9Z,12Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81O8P
Net Charge0
Average Mass757.087
Monoisotopic Mass756.56691
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H81O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,41H,3-11,13,15-17,19-22,24-40H2,1-2H3,(H2,46,47,48)/b14-12-,23-18-/t41-/m1/s1
InChIKeyHMFSRCBVVSBNOC-DEPOTCCGSA-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(18:2(9Z,12Z)/22:0) (CHEBI:187255) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate
Manual XrefsDatabases
LMGP10010360LIPID MAPS
HMDB0114964HMDB
74876711ChemSpider