N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565)

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ChEBI Name	N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine

ChEBI ID	CHEBI:59565

ChEBI ASCII Name	N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine

Definition	An N-[4-(4-nitrophenylphospho)butanoyl]alanine that has S at the chiral carbon.

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

Supplier Information

Download	Molfile XML SDF

Formula

C13H17N2O8P

Net Charge

Average Mass

360.257

Monoisotopic Mass

360.07225

InChI

InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1

InChIKey

KBXXIYHMPQZHCH-VIFPVBQESA-N

SMILES

[C@H](C(O)=O)(NC(CCCP(OC1=CC=C(C=C1)[N+](=O)[O-])(=O)O)=O)C

Roles Classification
Chemical Role(s):	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-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565) has role epitope (CHEBI:53000) N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565) is a N-[4-(4-nitrophenylphospho)butanoyl]alanine (CHEBI:59566) N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565) is a N-acyl-L-alanine (CHEBI:83946) N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565) is enantiomer of N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002)

Incoming	N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is enantiomer of N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565)

IUPAC Name

N-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-L-alanine

Synonyms	Sources
N-[4-(4-nitrophenylphospho)butyryl]-L-alanine	ChEBI
p-nitrophenyl phosphonobutanoyl L-alanine	ChEBI

Citation	Type	Source
11878955	PubMed citation	Europe PMC

Last Modified

31 December 2016