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CHEBI:189608 - PE(39:7)

ChEBI IDCHEBI:189608
ChEBI NamePE(39:7)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H74NO8P
Net Charge0
Average Mass776.049
Monoisotopic Mass775.51520
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C44H74NO8P/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/h5,7,11,13,16-19,21-22,25,27,31,33,42H,3-4,6,8-10,12,14-15,20,23-24,26,28-30,32,34-41,45H2,1-2H3,(H,48,49)/b7-5-,13-11-,18-16-,19-17-,22-21-,27-25-,33-31-/t42-/m1/s1
InChIKeyXOUDAZVFABMKEQ-LUKCOFAOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
heart (BTO:0000562) MetaboLights (MTBLS1887)
serum (BTO:0000133) MetaboLights (MTBLS1887)
liver (BTO:0000759) MetaboLights (MTBLS1887)
ChEBI Ontology
Outgoing Relation(s)
PE(39:7) (CHEBI:189608) 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] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
113375567ChemSpider
LMGP02010590LIPID MAPS