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CHEBI:186853 - PA(15:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:186853
ChEBI NamePA(15:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63O8P
Net Charge0
Average Mass654.866
Monoisotopic Mass654.42606
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C36H63O8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,34H,3-4,6,8-10,12,14-16,19-20,22,24-33H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,18-17-,23-21-/t34-/m1/s1
InChIKeyORLQGQPOJSMXSU-UZIPXBRASA-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(15:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:186853) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
74876585ChemSpider
LMGP10010146LIPID MAPS
HMDB0114818HMDB