CHEBI:231199 - PG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-20:0)

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(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-20:0)
ChEBI ID CHEBI:231199
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H83O11P
Net Charge 0
Average Mass 867.155
Monoisotopic Mass 866.56730
InChI InChI=1S/C48H83O11P/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-32-35-44(50)37-38-47(52)56-41-46(42-58-60(54,55)57-40-45(51)39-49)59-48(53)36-33-30-27-24-21-18-15-14-16-19-22-25-28-31-34-43(2)3/h5-6,8-9,11-12,17,20,26,29,32,35,43-46,49-51H,4,7,10,13-16,18-19,21-25,27-28,30-31,33-34,36-42H2,1-3H3,(H,54,55)/b6-5-,9-8-,12-11-,20-17-,29-26-,35-32-/t44?,45-,46+/m0/s1
InChIKey IXZDUMBRDVCJLW-OBQDFUDBSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCC(O)\C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(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(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-20:0) (CHEBI:231199) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(18-methylnonadecanoyloxy)propyl] (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoate
Manual Xrefs Databases
117226308 ChemSpider
HMDB0271956 HMDB
View more database links