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CHEBI:85798 - N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:85798
ChEBI NameN-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII NameN-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
DefinitionAn N-acylphosphatidylethanolamine 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.
Last Modified20 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC45H84NO9P
Net Charge0
Average Mass814.139
Monoisotopic Mass813.58837
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)/b16-14-,21-20-/t42-/m1/s1
InChIKeyYJVXUQCRPJIOON-UXSLIEDSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798) has functional parent hexadecanoic acid (CHEBI:15756)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798) has functional parent hexanoic acid (CHEBI:30776)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798) has functional parent linoleic acid (CHEBI:17351)
N-caproyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85798) is a N-acylphosphatidylethanolamine (CHEBI:61232)
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)
Incoming Relation(s)
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)
IUPAC Name 
(14R)-11-hydroxy-6,11,17-trioxo-10,12,16-trioxa-7-aza-11λ5-phosphadotriacontan-14-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonym  Source
N-hexanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamineChEBI