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CHEBI:172802 - PE(18:3(6Z,9Z,12Z)/P-16:0)

ChEBI IDCHEBI:172802
ChEBI NamePE(18:3(6Z,9Z,12Z)/P-16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72NO7P
Net Charge0
Average Mass697.979
Monoisotopic Mass697.50464
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCC
InChIInChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,31,34,38H,3-10,12,14-16,18,20-21,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-,24-22-,34-31-/t38-/m1/s1
InChIKeyHIBHCGGDRIJXQH-KDBKAMDRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
PE(18:3(6Z,9Z,12Z)/P-16:0) (CHEBI:172802) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
24768610ChemSpider
HMDB0009147HMDB