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CHEBI:176740 - PE(20:0/22:5)

ChEBI IDCHEBI:176740
ChEBI NamePE(20:0/22:5)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H84NO8P
Net Charge0
Average Mass822.162
Monoisotopic Mass821.59346
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
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/h11-14,17-20,25,27,45H,3-10,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
InChIKeyUIYAOYMNOHTIDX-JKIIUIJYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
PE(20:0/22:5) (CHEBI:176740) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0009371HMDB
LMGP02010930LIPID MAPS
24768822ChemSpider