N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770)

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ChEBI Name	N-(5'-phosphopyridoxyl)-L-alanine

ChEBI ID	CHEBI:44770

ChEBI ASCII Name	N-(5'-phosphopyridoxyl)-L-alanine

Definition	An alanine derivative arising from reductive N-alkylation of L-alanine by pyridoxal-5-phosphate.

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

Secondary ChEBI IDs	CHEBI:44971, CHEBI:44749, CHEBI:44767

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Formula

C11H17N2O7P

Net Charge

Average Mass

320.23560

Monoisotopic Mass

320.07734

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)/t7-/m0/s1

InChIKey

WACJCHFWJNNBPR-ZETCQYMHSA-N

SMILES

C[C@H](NCc1c(COP(O)(O)=O)cnc(C)c1O)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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'-phosphopyridoxyl)-L-alanine (CHEBI:44770) has functional parent pyridoxal (CHEBI:17310) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) has role antigen (CHEBI:59132) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) has role epitope (CHEBI:53000) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is a L-alanine derivative (CHEBI:83943) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is a monohydroxypyridine (CHEBI:38182) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is a non-proteinogenic L-α-amino acid (CHEBI:83822) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is a phosphate monoester (CHEBI:7794) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is conjugate acid of N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is enantiomer of N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743)

Incoming	N-(5'-phosphonatopyridoxyl)-L-alaninate(2−) (CHEBI:59763) is conjugate base of N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is enantiomer of N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770)

IUPAC Name

N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine

Synonym	Source
PLP-L-Ala	ChEBI

Registry Number	Type	Source
6072353	Beilstein Registry Number	Beilstein

Last Modified

20 November 2019