CHEBI:169778 - PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

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(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:169778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB4149769, ChemicalBook:CB6118196, eMolecules:484372
Download Molfile XML SDF
Formula C43H73O10P
Net Charge 0
Average Mass 781.021
Monoisotopic Mass 780.49414
InChI InChI=1S/C43H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-43(47)53-41(39-52-54(48,49)51-37-40(45)36-44)38-50-42(46)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40-41,44-45H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39H2,1-2H3,(H,48,49)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t40-,41+/m0/s1
InChIKey CTRNSVCYDUIICT-FFLBNGNKSA-N
SMILES P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:169778) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual Xref Database
LMGP04010160 LIPID MAPS
View more database links