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CHEBI:177000 - PE(20:0/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:177000
ChEBI NamePE(20:0/22:5(7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H84NO8P
Net Charge0
Average Mass822.162
Monoisotopic Mass821.59346
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,45H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,24-22-,30-28-/t45-/m1/s1
InChIKeyYALHDMNTTOMEOD-RWUWYPOTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
PE(20:0/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:177000) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
HMDB0009242HMDB
24768694ChemSpider