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CHEBI:189607 - PE(39:5)

ChEBI IDCHEBI:189607
ChEBI NamePE(39:5)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H78NO8P
Net Charge0
Average Mass780.081
Monoisotopic Mass779.54651
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C44H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h11,13,16-19,21-22,25-26,42H,3-10,12,14-15,20,23-24,27-41,45H2,1-2H3,(H,48,49)/b13-11-,18-16-,19-17-,22-21-,26-25-/t42-/m1/s1
InChIKeyHPAXVMXRAJWGNR-JJLVHVCKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
liver (BTO:0000759) MetaboLights (MTBLS1887)
heart (BTO:0000562) MetaboLights (MTBLS1887)
serum (BTO:0000133) MetaboLights (MTBLS1887)
ChEBI Ontology
Outgoing Relation(s)
PE(39:5) (CHEBI:189607) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-heptadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP02011111LIPID MAPS
113375839ChemSpider