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CHEBI:186052 - PA(14:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:186052
ChEBI NamePA(14:1(9Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H61O8P
Net Charge0
Average Mass640.839
Monoisotopic Mass640.41041
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C35H61O8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,20,22,33H,3-9,14-15,18-19,21,23-32H2,1-2H3,(H2,38,39,40)/b12-10-,13-11-,17-16-,22-20-/t33-/m1/s1
InChIKeyRDGYLJRHOUXXBC-NVHSXYQHSA-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)/18:3(6Z,9Z,12Z)) (CHEBI:186052) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
74876564ChemSpider
HMDB0114797HMDB
LMGP10010120LIPID MAPS