N-(5'-phosphonatopyridoxyl)-L-alaninate(2-) (CHEBI:59763)

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ChEBI Name	N-(5'-phosphonatopyridoxyl)-L-alaninate(2−)

ChEBI ID	CHEBI:59763

ChEBI ASCII Name	N-(5'-phosphonatopyridoxyl)-L-alaninate(2-)

Definition	An organophosphate oxoanion that is the dianion of N-(5'-phosphopyridoxyl)-L-alanine having anionic carboxy, hydroxy and phosphate groups with the secondary amino group and pyridine nitrogen protonated.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H15N2O7P

Net Charge

-2

Average Mass

318.21980

Monoisotopic Mass

318.06278

InChI

InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/p-2/t7-/m0/s1

InChIKey

WACJCHFWJNNBPR-ZETCQYMHSA-L

SMILES

C[C@H]([NH2+]Cc1c(COP([O-])([O-])=O)c[nH+]c(C)c1[O-])C([O-])=O

Roles Classification
Biological Role(s):	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	N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763) has role antigen (CHEBI:59132) N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763) has role epitope (CHEBI:53000) N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763) is a organophosphate oxoanion (CHEBI:58945) N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763) is conjugate base of N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770)

Incoming	N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is conjugate acid of N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763)

IUPAC Name

(2S)-2-[({2-methyl-3-oxido-5-[(phosphonatooxy)methyl]pyridinium-4-yl}methyl)azaniumyl]propanoate

Synonyms	Sources
N-(5'-phosphonatopyridoxyl)-L-alaninate dianion	ChEBI
PPL-L-alanine	ChEBI
PPL-L-alanine anion	ChEBI
PPL-L-alanine(1−)	ChEBI

Citation	Type	Source
16790434	PubMed citation	Europe PMC

Last Modified

28 April 2017