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CHEBI:186999 - PA(14:0/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:186999
ChEBI NamePA(14:0/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67O8P
Net Charge0
Average Mass670.909
Monoisotopic Mass670.45736
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C37H67O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,35H,3-10,12,14-15,18,21-34H2,1-2H3,(H2,40,41,42)/b13-11-,17-16-,20-19-/t35-/m1/s1
InChIKeyDXBFNSRTGBROPM-WAWAFNTHSA-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(14:0/20:3(8Z,11Z,14Z)) (CHEBI:186999) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
74877243ChemSpider
HMDB0115505HMDB
LMGP10010102LIPID MAPS