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CHEBI:186080 - PA(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:186080
ChEBI NamePA(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H63O8P
Net Charge0
Average Mass690.899
Monoisotopic Mass690.42606
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)O
InChIInChI=1S/C39H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22,24,28,30,37H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3,(H2,42,43,44)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m1/s1
InChIKeySUYPCOGPNUUSAG-BDDODSHHSA-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(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:186080) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0114809HMDB
74876576ChemSpider
LMGP10010136LIPID MAPS