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CHEBI:230981 - PG(i-24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))

ChEBI IDCHEBI:230981
ChEBI NamePG(i-24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H89O11P
Net Charge0
Average Mass897.225
Monoisotopic Mass896.61425
SMILESCC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C50H89O11P/c1-4-46(52)38-34-30-26-22-18-14-11-12-16-20-24-28-32-36-40-50(55)61-48(44-60-62(56,57)59-42-47(53)41-51)43-58-49(54)39-35-31-27-23-19-15-10-8-6-5-7-9-13-17-21-25-29-33-37-45(2)3/h12,14,16,18,24,26,28,30,34,38,45-48,51-53H,4-11,13,15,17,19-23,25,27,29,31-33,35-37,39-44H2,1-3H3,(H,56,57)/b16-12-,18-14-,28-24-,30-26-,38-34+/t46-,47+,48-/m1/s1
InChIKeyYFUFMUIEXSEORB-RRDIJCFTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(i-24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) (CHEBI:230981) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoyl]oxypropyl] 22-methyltricosanoate
Manual XrefsDatabases
117226549ChemSpider
HMDB0272251HMDB