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CHEBI:189862 - 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion

ChEBI IDCHEBI:189862
ChEBI Name1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion
Stars
ASCII Name1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion
Submitterlaimo
DownloadsMolfile
FormulaC45H78NO8P
Net Charge0
Average Mass792.092
Monoisotopic Mass791.54651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH+](C)C
InChIInChI=1S/C45H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2/h7,9,13,15,19-20,22-23,26,28,32,34,43H,5-6,8,10-12,14,16-18,21,24-25,27,29-31,33,35-42H2,1-4H3,(H,49,50)/b9-7-,15-13-,20-19-,23-22-,28-26-,34-32-/t43-/m1/s1
InChIKeyMAEOLZGXEMAHLZ-REGBRMSYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:189862) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:189862) is a 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion (CHEBI:64572)
Synonym  Source
PDME (16:0/22:6-(4Z,7Z,10Z,13Z,16Z,19Z)) zwitterionSUBMITTER
UniProt Name  Source
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamineUniProt
Citations