CHEBI:187806 - PG(21:0/22:1(11Z))

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ChEBI Name PG(21:0/22:1(11Z))
ChEBI ID CHEBI:187806
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H95O10P
Net Charge 0
Average Mass 875.263
Monoisotopic Mass 874.66629
InChI InChI=1S/C49H95O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)59-47(45-58-60(54,55)57-43-46(51)42-50)44-56-48(52)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,46-47,50-51H,3-20,22,24-45H2,1-2H3,(H,54,55)/b23-21-/t46-,47+/m0/s1
InChIKey RDFIGWSPHSBSEH-HYNBYXBDSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(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(21:0/22:1(11Z)) (CHEBI:187806) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-henicosanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual Xrefs Databases
113377393 ChemSpider
LMGP04010699 LIPID MAPS
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