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CHEBI:185744 - PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)

ChEBI IDCHEBI:185744
ChEBI NamePG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H65O10P
Net Charge0
Average Mass712.902
Monoisotopic Mass712.43153
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C38H65O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22-23,35-36,39-40H,3-4,6,8-10,12,14,17,20-21,24-34H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-15-,19-18-,23-22-/t35-,36+/m0/s1
InChIKeySQGFYWDYSYFHGE-JKTDFKJZSA-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(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) (CHEBI:185744) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP04010648LIPID MAPS
113377342ChemSpider