EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89360 - PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:89360
ChEBI NamePG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
DownloadsMolfile
FormulaC46H79O10P
Net Charge0
Average Mass823.102
Monoisotopic Mass822.54109
SMILES[H][C@](O)(CO)COP(=O)(O)OC[C@@]([H])(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,26,28,32,34,43-44,47-48H,3-10,12,14-16,20,24-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b13-11-,19-17-,22-21-,23-18-,28-26-,34-32-/t43-,44+/m0/s1
InChIKeyJKAAWGKTGRIKRC-PAOSANONSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:89360) is a phosphatidylglycerol (CHEBI:17517)
Synonyms  Source
Phosphatidylglycerol(18:1w9/22:5w6)HMDB
1-Oleoyl-2-docosapentaenoyl-sn-glycero-3-phosphoglycerolHMDB
PG(18:1n9/22:5n6)HMDB
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acidHMDB
Phosphatidylglycerol(18:1/22:5)HMDB
GPG(18:1/22:5)HMDB
Manual XrefsDatabases
HMDB0010642HMDB
Citations