CHEBI:230985 - PG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

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ChEBI Name PG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
ChEBI ID CHEBI:230985
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H79O12P
Net Charge 0
Average Mass 831.078
Monoisotopic Mass 830.53091
InChI InChI=1S/C44H79O12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-27-33-43(49)53-37-42(38-55-57(51,52)54-36-41(48)35-45)56-44(50)34-28-32-40(47)31-26-23-22-25-30-39(46)29-24-20-10-8-6-4-2/h20,22-26,30-31,39-42,45-48H,3-19,21,27-29,32-38H2,1-2H3,(H,51,52)/b23-22+,24-20-,30-25+,31-26-/t39-,40-,41-,42+/m0/s1
InChIKey QFKIQLSMXPAXIX-WCPJBUIWSA-N
SMILES P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:230985) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
Manual Xrefs Databases
117223772 ChemSpider
HMDB0268799 HMDB
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