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CHEBI:229790 - pe(17:1(9z)/22:2(13z,16z))

ChEBI IDCHEBI:229790
ChEBI Namepe(17:1(9z)/22:2(13z,16z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82NO8P
Net Charge0
Average Mass784.113
Monoisotopic Mass783.57781
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C44H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,16-19,42H,3-10,12,14-15,20-41,45H2,1-2H3,(H,48,49)/b13-11-,18-16-,19-17-/t42-/m1/s1
InChIKeyLEGIAVMPBNIGMW-RFYNFLRRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
pe(17:1(9z)/22:2(13z,16z)) (CHEBI:229790) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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