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

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

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ChEBI ID	CHEBI:44770
ChEBI Name	N-(5'-phosphopyridoxyl)-L-alanine
Stars
ASCII Name	N-(5'-phosphopyridoxyl)-L-alanine
Definition	An alanine derivative arising from reductive N-alkylation of L-alanine by pyridoxal-5-phosphate.
Secondary ChEBI IDs	CHEBI:44749, CHEBI:44767, CHEBI:44971
Last Modified	20 November 2019
Downloads	Molfile

Formula	C11H17N2O7P
Net Charge	0
Average Mass	320.238
Monoisotopic Mass	320.07734
SMILES	Cc1ncc(COP(=O)(O)O)c(CN[C@@H](C)C(=O)O)c1O
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

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
	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 Relation(s)
	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

Manual Xrefs	Databases
PP3	PDBeChem

Registry Numbers	Sources
Beilstein:6072353	Beilstein

Citations