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CHEBI:186413 - PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))

Default Structure
ChEBI IDCHEBI:186413
ChEBI NamePA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H73O7P
Net Charge0
Average Mass709.002
Monoisotopic Mass708.50939
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C41H73O7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(42)48-40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,40H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H2,43,44,45)/b7-5-,13-11-,19-17-,24-22-,30-28-/t40-/m1/s1
InChIKeyJAQLTHPCSVEQKJ-FIIISHEISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186413) is a ether lipid (CHEBI:64611)
PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186413) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name 
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
113379397ChemSpider
LMGP10020087LIPID MAPS