EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89401 - PG(18:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:89401
ChEBI NamePG(18:1(9Z)/18:3(6Z,9Z,12Z))
Stars
DownloadsMolfile
FormulaC42H75O10P
Net Charge0
Average Mass771.026
Monoisotopic Mass770.50979
SMILES[H][C@](O)(CO)COP(=O)(O)OC[C@@]([H])(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,39-40,43-44H,3-11,13,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1
InChIKeyDZFSSBHYSJDYFN-MNHFJEBCSA-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)/18:3(6Z,9Z,12Z)) (CHEBI:89401) is a phosphatidylglycerol (CHEBI:17517)
Synonyms  Source
GPG(18:1w9/18:3w6)HMDB
Phosphatidylglycerol(18:1w9/18:3w6)HMDB
1-(9Z-Octadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-glycerol)HMDB
PG(18:1w9/18:3w6)HMDB
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acidHMDB
Phosphatidylglycerol(18:1n9/18:3n6)HMDB
Manual XrefsDatabases
HMDB0010636HMDB
Citations