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CHEBI:187156 - PA(16:1(9Z)/14:1(9Z))

ChEBI IDCHEBI:187156
ChEBI NamePA(16:1(9Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H61O8P
Net Charge0
Average Mass616.817
Monoisotopic Mass616.41041
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)O
InChIInChI=1S/C33H61O8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(34)39-29-31(30-40-42(36,37)38)41-33(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12-13,15,31H,3-9,11,14,16-30H2,1-2H3,(H2,36,37,38)/b12-10-,15-13-/t31-/m1/s1
InChIKeyQKJBYEDABOQTKS-XCVQYDNVSA-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(16:1(9Z)/14:1(9Z)) (CHEBI:187156) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
LMGP10010202LIPID MAPS
HMDB0114853HMDB
74876617ChemSpider