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CHEBI:192318 - PE(18:3(6Z,9Z,12Z)/15:0)

ChEBI IDCHEBI:192318
ChEBI NamePE(18:3(6Z,9Z,12Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H70NO8P
Net Charge0
Average Mass699.951
Monoisotopic Mass699.48390
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,21-22,36H,3-10,12,14-16,19-20,23-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-,22-21-/t36-/m1/s1
InChIKeyFGSUWGIBFFVIBU-WXYHDSIISA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
PE(18:3(6Z,9Z,12Z)/15:0) (CHEBI:192318) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentadecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
LMGP02010683LIPID MAPS
24768583ChemSpider
HMDB0009120HMDB