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CHEBI:186064 - PA(18:4(6Z,9Z,12Z,15Z)/12:0)

ChEBI IDCHEBI:186064
ChEBI NamePA(18:4(6Z,9Z,12Z,15Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57O8P
Net Charge0
Average Mass612.785
Monoisotopic Mass612.37911
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C33H57O8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-32(34)39-29-31(30-40-42(36,37)38)41-33(35)28-26-24-22-19-12-10-8-6-4-2/h5,7,11,13,15-16,18,20,31H,3-4,6,8-10,12,14,17,19,21-30H2,1-2H3,(H2,36,37,38)/b7-5-,13-11-,16-15-,20-18-/t31-/m1/s1
InChIKeyMEEDMYOUYKJYQE-KBVAGPSZSA-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)/12:0) (CHEBI:186064) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
LMGP10010423LIPID MAPS
113379081ChemSpider