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:	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)
	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