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

Default Structure
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:
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).
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.
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
N6-acetyl-N2-(5'-phosphonatopyridoxyl)-L-lysinate dianionChEBI
Nε-acetyl-Nα-(5'-phosphonatopyridoxyl)-L-lysinate(2−)ChEBI
Citations