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CHEBI:59766 - N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−)

ChEBI IDCHEBI:59766
ChEBI NameN6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−)
Stars
ASCII NameN(6)-acetyl-N(2)-(5'-phosphonatopyridoxyl)-L-lysinate(2-)
DefinitionAn organophosphate oxoanion that is the dianion of N6-acetyl-N2-(5'-phosphopyridoxyl)-L-alanine having anionic carboxy, hydroxy and phosphate groups with the secondary amino group and pyridine nitrogen protonated.
Last Modified28 April 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H24N3O8P
Net Charge-2
Average Mass417.355
Monoisotopic Mass417.13120
SMILESCC(=O)NCCCC[C@H]([NH2+]Cc1c(COP(=O)([O-])[O-])c[nH+]c(C)c1[O-])C(=O)[O-]
InChIInChI=1S/C16H26N3O8P/c1-10-15(21)13(12(7-18-10)9-27-28(24,25)26)8-19-14(16(22)23)5-3-4-6-17-11(2)20/h7,14,19,21H,3-6,8-9H2,1-2H3,(H,17,20)(H,22,23)(H2,24,25,26)/p-2/t14-/m0/s1
InChIKeyZQGOSPTVQVGUON-AWEZNQCLSA-L
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−) (CHEBI:59766) has role antigen (CHEBI:59132)
N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−) (CHEBI:59766) has role epitope (CHEBI:53000)
N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−) (CHEBI:59766) is a organophosphate oxoanion (CHEBI:58945)
N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−) (CHEBI:59766) is conjugate base of N6-acetyl-N2-(5'-phosphopyridoxyl)-L-lysine (CHEBI:59767)
Incoming Relation(s)
N6-acetyl-N2-(5'-phosphopyridoxyl)-L-lysine (CHEBI:59767) is conjugate acid of N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate(2−) (CHEBI:59766)
IUPAC Name 
(2S)-6-acetamido-2-[({2-methyl-3-oxido-5-[(phosphonatooxy)methyl]pyridinium-4-yl}methyl)azaniumyl]hexanoate
Synonyms  Source
Nε-acetyl-Nα-(5'-phosphonatopyridoxyl)-L-lysinate(2−)ChEBI
N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate dianionChEBI
Citations