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CHEBI:191343 - 22:0-18:3-PE

ChEBI IDCHEBI:191343
ChEBI Name22:0-18:3-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H84NO8P
Net Charge0
Average Mass798.140
Monoisotopic Mass797.59346
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
InChIInChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1
InChIKeyYPNBTCGXMZRYQA-VFTHXXHWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
22:0-18:3-PE (CHEBI:191343) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
2-azaniumylethyl [(2R)-3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] phosphate
Manual XrefsDatabases
24768939ChemSpider
HMDB0009491HMDB