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CHEBI:79097 - 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:79097
ChEBI Name1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Last Modified9 December 2019
SubmitterSteve
DownloadsMolfile
FormulaC43H74NO8P
Net Charge0
Average Mass764.038
Monoisotopic Mass763.51520
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)OCCN
InChIInChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1
InChIKeyMPWUZHVZZKSTPV-MADBQMNMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79097) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79097) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79097) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79097) is tautomer of 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78261)
Incoming Relation(s)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78261) is tautomer of 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79097)
IUPAC Name 
(19R)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Synonyms  Source
1-palmitoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamineChEBI
PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))LIPID MAPS
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamineLIPID MAPS
PE(16:0/22:6)LIPID MAPS
GPEtn(16:0/22:6w3)HMDB
PE(16:0/22:6w3)HMDB
Manual XrefsDatabases
LMGP02010095LIPID MAPS
HMDB0008946HMDB
Registry NumbersSources
Reaxys:7789266Reaxys