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CHEBI:230121 - PGP(18:3(10,12,15)-OH(9)/i-20:0)

ChEBI IDCHEBI:230121
ChEBI NamePGP(18:3(10,12,15)-OH(9)/i-20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82O14P2
Net Charge0
Average Mass897.074
Monoisotopic Mass896.51798
SMILESCC/C=C/C/C=C/C=C/C(O)CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C44H82O14P2/c1-4-5-6-7-16-21-26-31-40(45)32-27-22-19-24-28-33-43(47)54-37-42(38-57-60(52,53)56-36-41(46)35-55-59(49,50)51)58-44(48)34-29-23-18-15-13-11-9-8-10-12-14-17-20-25-30-39(2)3/h5-6,16,21,26,31,39-42,45-46H,4,7-15,17-20,22-25,27-30,32-38H2,1-3H3,(H,52,53)(H2,49,50,51)/b6-5+,21-16+,31-26+/t40?,41-,42+/m0/s1
InChIKeyNRIKOOVZQGOYLY-NEJVPQRFSA-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(18:3(10,12,15)-OH(9)/i-20:0) (CHEBI:230121) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxypropan-2-yl] 18-methylnonadecanoate
Manual XrefsDatabases
HMDB0275703HMDB
117229330ChemSpider