N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743)

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

ChEBI ID	CHEBI:44743

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

Definition	A D-alanine derivative arising from reductive N-alkylation of D-alanine by pyridoxal-5-phosphate.

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

Supplier Information

Download	Molfile XML SDF

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-/m1/s1

InChIKey

WACJCHFWJNNBPR-SSDOTTSWSA-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.

ChEBI Ontology
Outgoing	N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) has functional parent pyridoxal (CHEBI:17310) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) has role epitope (CHEBI:53000) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a D-α-amino acid (CHEBI:16733) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a D-alanine derivative (CHEBI:83944) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a monohydroxypyridine (CHEBI:38182) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is a phosphate monoester (CHEBI:7794) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is conjugate acid of N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) is enantiomer of N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770)

Incoming	N-(5'-phosphonatopyridoxyl)-D-alaninate(2−) (CHEBI:59762) is conjugate base of N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) is enantiomer of N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743)

IUPAC Name

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

Citation	Type	Source
16790434	PubMed citation	Europe PMC

Last Modified

20 December 2016