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CHEBI:180816 - PE(18:3(6Z,9Z,12Z)/18:0)

ChEBI IDCHEBI:180816
ChEBI NamePE(18:3(6Z,9Z,12Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76NO8P
Net Charge0
Average Mass742.032
Monoisotopic Mass741.53086
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=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/h11,13,17,19,23,25,39H,3-10,12,14-16,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,25-23-/t39-/m1/s1
InChIKeyHVDYTORIBLUETE-AFCCUTSCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
PE(18:3(6Z,9Z,12Z)/18:0) (CHEBI:180816) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
HMDB0009123HMDB
24768586ChemSpider
LMGP02010690LIPID MAPS