CHEBI:185285 - PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))

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ChEBI Name PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))
ChEBI ID CHEBI:185285
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000169629944
Download Molfile XML SDF
Formula C47H83O10P
Net Charge 0
Average Mass 839.145
Monoisotopic Mass 838.57239
InChI InChI=1S/C47H83O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-46(50)54-42-45(43-56-58(52,53)55-41-44(49)40-48)57-47(51)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,26,28,44-45,48-49H,3-10,12,14-16,18,21,25,27,29-43H2,1-2H3,(H,52,53)/b13-11-,19-17-,23-22-,24-20-,28-26-/t44-,45+/m0/s1
InChIKey RWLOCVQIKSYXID-CWJQTHECSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(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(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) (CHEBI:185285) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
113377499 ChemSpider
LMGP04010805 LIPID MAPS
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