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CHEBI:188174 - PE(19:1(9Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:188174
ChEBI NamePE(19:1(9Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H86NO8P
Net Charge0
Average Mass812.167
Monoisotopic Mass811.60911
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C46H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47)42-52-45(48)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,24,44H,3-10,12,14-16,18,21-23,25-43,47H2,1-2H3,(H,50,51)/b13-11-,19-17-,24-20-/t44-/m1/s1
InChIKeyCQZSLMKUHUBYCT-FPKLAGQKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PE(19:1(9Z)/22:2(13Z,16Z)) (CHEBI:188174) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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