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CHEBI:176995 - PE(20:0/22:1(13Z))

ChEBI IDCHEBI:176995
ChEBI NamePE(20:0/22:1(13Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H92NO8P
Net Charge0
Average Mass830.226
Monoisotopic Mass829.65606
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C47H92NO8P/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/h17,19,45H,3-16,18,20-44,48H2,1-2H3,(H,51,52)/b19-17-/t45-/m1/s1
InChIKeyIPSFWKSHCKHCIT-XMGJQEBSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PE(20:0/22:1(13Z)) (CHEBI:176995) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosanoyloxypropan-2-yl] (Z)-docos-13-enoate
Manual XrefsDatabases
7825936ChemSpider
LMGP02010287LIPID MAPS
HMDB0009238HMDB