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CHEBI:187764 - PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:187764
ChEBI NamePA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61O8P
Net Charge0
Average Mass688.883
Monoisotopic Mass688.41041
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C39H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,37H,3-4,9-10,15-16,21-22,27-36H2,1-2H3,(H2,42,43,44)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t37-/m1/s1
InChIKeySXJYGMXFGUUCQI-LZWDUWJWSA-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(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:187764) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
HMDB0115038HMDB
LMGP10010439LIPID MAPS
74876782ChemSpider