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CHEBI:85297 - N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−)

ChEBI IDCHEBI:85297
ChEBI NameN-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−)
Stars
ASCII NameN-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-)
DefinitionAn N-acylphosphatidylethanolamine(1−) in which the N-acyl group is specified as caproyl (hexanoyl) 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
FormulaC45H83NO9P
Net Charge-1
Average Mass813.131
Monoisotopic Mass812.58109
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCC
InChIInChI=1S/C45H84NO9P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-34-37-45(49)55-42(41-54-56(50,51)53-39-38-46-43(47)35-32-9-6-3)40-52-44(48)36-33-30-28-26-24-22-19-17-15-13-11-8-5-2/h14,16,20-21,42H,4-13,15,17-19,22-41H2,1-3H3,(H,46,47)(H,50,51)/p-1/b16-14-,21-20-/t42-/m1/s1
InChIKeyYJVXUQCRPJIOON-UXSLIEDSSA-M
ChEBI Ontology
Outgoing Relation(s)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85297) is a N-acylphosphatidylethanolamine(1−) (CHEBI:62537)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85297) is conjugate base of N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798)
Incoming Relation(s)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798) is conjugate acid of N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85297)
Synonym  Source
N-hexanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine(1−)SUBMITTER
UniProt Name  Source
N-hexanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamineUniProt
Citations