CHEBI:231028 - PG(20:3(6,8,11)-OH(5)/i-22:0)

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ChEBI Name PG(20:3(6,8,11)-OH(5)/i-22:0)
ChEBI ID CHEBI:231028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H89O11P
Net Charge 0
Average Mass 873.203
Monoisotopic Mass 872.61425
InChI InChI=1S/C48H89O11P/c1-4-5-6-7-8-9-10-15-19-22-25-28-31-35-44(50)36-33-38-47(52)56-41-46(42-58-60(54,55)57-40-45(51)39-49)59-48(53)37-32-29-26-23-20-17-14-12-11-13-16-18-21-24-27-30-34-43(2)3/h15,19,25,28,31,35,43-46,49-51H,4-14,16-18,20-24,26-27,29-30,32-34,36-42H2,1-3H3,(H,54,55)/b19-15+,28-25+,35-31+/t44?,45-,46+/m0/s1
InChIKey XLNMPEMEDCUPNA-VDNNJBHTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCC(O)\C=C\C=C\C\C=C\CCCCCCCC)(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(20:3(6,8,11)-OH(5)/i-22:0) (CHEBI:231028) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxypropan-2-yl] 20-methylhenicosanoate
Manual Xrefs Databases
117226496 ChemSpider
HMDB0272186 HMDB
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