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CHEBI:189595 - PG(44:10)

ChEBI IDCHEBI:189595
ChEBI NamePG(44:10)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H79O10P
Net Charge0
Average Mass871.146
Monoisotopic Mass870.54109
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C50H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,35,37,47-48,51-52H,3-4,6,8-10,15-16,21-22,27-28,33-34,36,38-46H2,1-2H3,(H,55,56)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-,48+/m0/s1
InChIKeyLOPJVYQIGGCNOS-SMSPUKLYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
serum (BTO:0000133) MetaboLights (MTBLS1887)
heart (BTO:0000562) MetaboLights (MTBLS1887)
liver (BTO:0000759) MetaboLights (MTBLS1887)
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(44:10) (CHEBI:189595) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP04010845LIPID MAPS
113377532ChemSpider