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CHEBI:191314 - 18:0-18:3-PE

Default Structure
ChEBI IDCHEBI:191314
ChEBI Name18:0-18:3-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76NO8P
Net Charge0
Average Mass742.032
Monoisotopic Mass741.53086
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
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/h6,8,12,14,18,20,39H,3-5,7,9-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/b8-6-,14-12-,20-18-/t39-/m1/s1
InChIKeyDCPDPBCUPLKQNQ-HPSODUDCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
18:0-18:3-PE (CHEBI:191314) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
2-azaniumylethyl [(2R)-3-octadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] phosphate
Manual XrefsDatabases
24768477ChemSpider
HMDB0008996HMDB