N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002)

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

ChEBI ID	CHEBI:45002

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

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

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

Secondary ChEBI IDs	CHEBI:44855, CHEBI:45000

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-/m1/s1

InChIKey

KBXXIYHMPQZHCH-SECBINFHSA-N

SMILES

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

Roles Classification
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]-D-alanine (CHEBI:45002) has role epitope (CHEBI:53000) N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is a N-[4-(4-nitrophenylphospho)butanoyl]alanine (CHEBI:59566) N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is a D-alanine derivative (CHEBI:83944) N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine (CHEBI:45002) is enantiomer of N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine (CHEBI:59565)

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

IUPAC Name

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

Synonyms	Sources
N-[4-(4-nitrophenylphospho)butyryl]-D-alanine	ChEBI
p-nitrophenyl phosphonobutanoyl D-alanine	ChEBI
PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE	PDBeChem

Citation	Type	Source
11878955	PubMed citation	Europe PMC

Last Modified

31 December 2016