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CHEBI:230045 - PGP(i-12:0/20:4(5Z,8Z,11Z,13E)+=O(15))

ChEBI IDCHEBI:230045
ChEBI NamePGP(i-12:0/20:4(5Z,8Z,11Z,13E)+=O(15))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H66O14P2
Net Charge0
Average Mass808.880
Monoisotopic Mass808.39278
SMILESCCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C38H66O14P2/c1-4-5-19-25-34(39)26-21-16-11-9-7-6-8-10-12-18-23-28-38(42)52-36(31-48-37(41)27-22-17-14-13-15-20-24-33(2)3)32-51-54(46,47)50-30-35(40)29-49-53(43,44)45/h6-7,10-12,16,21,26,33,35-36,40H,4-5,8-9,13-15,17-20,22-25,27-32H2,1-3H3,(H,46,47)(H2,43,44,45)/b7-6-,12-10-,16-11-,26-21+/t35-,36+/m0/s1
InChIKeyCRQZKZZFLWKMBB-JHBJHKRPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
PGP(i-12:0/20:4(5Z,8Z,11Z,13E)+=O(15)) (CHEBI:230045) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] (5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoate
Manual XrefsDatabases
HMDB0274833HMDB
117228602ChemSpider