CHEBI:186284 - PG(19:1(9Z)/21:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PG(19:1(9Z)/21:0)
ChEBI ID CHEBI:186284
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H89O10P
Net Charge 0
Average Mass 833.182
Monoisotopic Mass 832.61934
InChI InChI=1S/C46H89O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,43-44,47-48H,3-19,21-22,24-42H2,1-2H3,(H,51,52)/b23-20-/t43-,44+/m0/s1
InChIKey VULMKIJGYBLJCL-MSILKGAPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)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)/21:0) (CHEBI:186284) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] henicosanoate
Manual Xrefs Databases
113377210 ChemSpider
LMGP04010505 LIPID MAPS
View more database links