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CHEBI:184147 - PE(18:3(9Z,12Z,15Z)/18:0)

ChEBI IDCHEBI:184147
ChEBI NamePE(18:3(9Z,12Z,15Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76NO8P
Net Charge0
Average Mass742.032
Monoisotopic Mass741.53086
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,39H,3-4,6,8-10,12,14-16,18,20-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-/t39-/m1/s1
InChIKeyNTINXHSINBZQGH-OLWDQJIWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PE(18:3(9Z,12Z,15Z)/18:0) (CHEBI:184147) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
HMDB0009156HMDB
24768618ChemSpider
LMGP02010720LIPID MAPS