CHEBI:85799 - N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine

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ChEBI Name N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:85799
ChEBI ASCII Name N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
Definition An N-acylphosphatidylethanolamine 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H80NO9P
Net Charge 0
Average Mass 786.07040
Monoisotopic Mass 785.55707
InChI InChI=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)/b15-13-,20-19-/t40-/m1/s1
InChIKey QJTZZBJSNNHONP-LYJZGNKWSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCNC(=O)CCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
ChEBI Ontology
Outgoing N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85799) has functional parent butyric acid (CHEBI:30772)
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85799) has functional parent hexadecanoic acid (CHEBI:15756)
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85799) has functional parent linoleic acid (CHEBI:17351)
N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85799) is a N-acylphosphatidylethanolamine (CHEBI:61232)
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)
Incoming 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)
IUPAC Name
(12R)-9-hydroxy-4,9,15-trioxo-8,10,14-trioxa-5-aza-9λ5-phosphatriacontan-12-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonym Source
N-butanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine ChEBI
Last Modified
20 May 2015