CHEBI:230992 - PG(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20))

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ChEBI Name PG(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20))
ChEBI ID CHEBI:230992
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H87O11P
Net Charge 0
Average Mass 871.187
Monoisotopic Mass 870.59860
InChI InChI=1S/C48H87O11P/c1-44(2)36-32-28-24-20-16-12-8-5-6-9-13-17-21-25-29-33-37-47(52)56-42-46(43-58-60(54,55)57-41-45(51)40-50)59-48(53)38-34-30-26-22-18-14-10-4-3-7-11-15-19-23-27-31-35-39-49/h3,7,10,14-15,19,22,26,44-46,49-51H,4-6,8-9,11-13,16-18,20-21,23-25,27-43H2,1-2H3,(H,54,55)/b7-3-,14-10-,19-15-,26-22-/t45-,46+/m0/s1
InChIKey SCZRIIMYONNIBV-JARGIWPGSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) (CHEBI:230992) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoyl]oxypropyl] 20-methylhenicosanoate
Manual Xrefs Databases
117226419 ChemSpider
HMDB0272091 HMDB
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