CHEBI:186527 - PG(19:1(9Z)/22:2(13Z,16Z))

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ChEBI Name PG(19:1(9Z)/22:2(13Z,16Z))
ChEBI ID CHEBI:186527
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H87O10P
Net Charge 0
Average Mass 843.177
Monoisotopic Mass 842.60369
InChI InChI=1S/C47H87O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-47(51)57-45(43-56-58(52,53)55-41-44(49)40-48)42-54-46(50)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,24,44-45,48-49H,3-10,12,14-16,18,21-23,25-43H2,1-2H3,(H,52,53)/b13-11-,19-17-,24-20-/t44-,45+/m0/s1
InChIKey NAOIZFXQNWEONO-RLAFDCIISA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(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(19:1(9Z)/22:2(13Z,16Z)) (CHEBI:186527) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
113377213 ChemSpider
LMGP04010508 LIPID MAPS
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