CHEBI:186831 - PG(22:0/18:4(6Z,9Z,12Z,15Z))

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ChEBI Name PG(22:0/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:186831
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H83O10P
Net Charge 0
Average Mass 827.134
Monoisotopic Mass 826.57239
InChI InChI=1S/C46H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,43-44,47-48H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-42H2,1-2H3,(H,51,52)/b8-6-,14-12-,23-18-,30-28-/t43-,44+/m0/s1
InChIKey VVXSLBWGGVKSCN-GGPAVPQGSA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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(22:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:186831) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] docosanoate
Manual Xrefs Databases
113377407 ChemSpider
LMGP04010713 LIPID MAPS
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