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CHEBI:84234 - 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion

ChEBI IDCHEBI:84234
ChEBI Name1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion
Stars
ASCII Name1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion
DefinitionA phosphatidylethanolamine 36:1 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
Last Modified3 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC41H80NO8P
Net Charge0
Average Mass746.064
Monoisotopic Mass745.56216
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H80NO8P/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/h17,19,39H,3-16,18,20-38,42H2,1-2H3,(H,45,46)/b19-17-/t39-/m1/s1
InChIKeyLICSIKXBSOVGBP-VEAYGOGPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:84234) is a phosphatidylethanolamine 36:1 zwitterion (CHEBI:71727)
1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:84234) is tautomer of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85076)
Incoming Relation(s)
1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85076) is tautomer of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:84234)
IUPAC Name 
2-azaniumylethyl (2R)-2-(octadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl phosphate
Synonym  Source
PE (18:1n-9/18:0)SUBMITTER
UniProt Name  Source
1-(9Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phosphoethanolamineUniProt