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CHEBI:187346 - PA(14:1(9Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:187346
ChEBI NamePA(14:1(9Z)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67O8P
Net Charge0
Average Mass670.909
Monoisotopic Mass670.45736
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
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/h10-13,16-17,35H,3-9,14-15,18-34H2,1-2H3,(H2,40,41,42)/b12-10-,13-11-,17-16-/t35-/m1/s1
InChIKeyHAFLIWPOKKVYBN-CTBOXKONSA-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)/20:2(11Z,14Z)) (CHEBI:187346) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
LMGP10010127LIPID MAPS
HMDB0115506HMDB
74877244ChemSpider