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CHEBI:85298 - N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−)

ChEBI IDCHEBI:85298
ChEBI NameN-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−)
Stars
ASCII NameN-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-)
DefinitionAn N-acylphosphatidylethanolamine(1−) in which the N-acyl group is specified as butyryl while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively; major species at pH 7.3.
Last Modified11 April 2018
Submitternhn
DownloadsMolfile
FormulaC43H79NO9P
Net Charge-1
Average Mass785.077
Monoisotopic Mass784.54979
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCC
InChIInChI=1S/C43H80NO9P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-43(47)53-40(39-52-54(48,49)51-37-36-44-41(45)33-6-3)38-50-42(46)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h13,15,19-20,40H,4-12,14,16-18,21-39H2,1-3H3,(H,44,45)(H,48,49)/p-1/b15-13-,20-19-/t40-/m1/s1
InChIKeyQJTZZBJSNNHONP-LYJZGNKWSA-M
ChEBI Ontology
Outgoing Relation(s)
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85298) is a N-acylphosphatidylethanolamine(1−) (CHEBI:62537)
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85298) is conjugate base of N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85799)
Incoming Relation(s)
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85799) is conjugate acid of N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85298)
IUPAC Name 
2-butanamidoethyl (2R)-3-(hexadecanoyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl phosphate
Synonym  Source
N-butanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine(1−)ChEBI
UniProt Name  Source
N-butanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamineUniProt
Citations