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CHEBI:187294 - PG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:187294
ChEBI NamePG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H69O10P
Net Charge0
Average Mass740.956
Monoisotopic Mass740.46284
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C40H69O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,37-38,41-42H,3-9,14-15,18,21-23,25,27-36H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-,20-19-,26-24-/t37-,38+/m0/s1
InChIKeyWQFRRTZYMJAZSQ-RJXATSBXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:187294) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
LMGP04010131LIPID MAPS
113376883ChemSpider