CHEBI:140643 - 6-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 6-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid ChEBI ID CHEBI:140643 Definition A C-nitro compound that is 6-phosphonohexanoic acid in which the phosphono function is esterified with (4-nitrophenyl)methanol; a phosphonate transition state analogue with affinity for catalytic antibody 7B9. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H18NO7P Net Charge 0 Average Mass 331.259 Monoisotopic Mass 331.08209 InChI InChI=1S/C13H18NO7P/c15-13(16)4-2-1-3-9-22(19,20)21-10-11-5-7-12(8-6-11)14(17)18/h5-8H,1-4,9-10H2,(H,15,16)(H,19,20) InChIKey ARWNSSBHKYKVRY-UHFFFAOYSA-N SMILES C=1(C=CC(=CC1)[N+]([O-])=O)COP(CCCCCC(O)=O)(=O)O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 6-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid (CHEBI:140643) is a C-nitro compound (CHEBI:35716) 6-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid (CHEBI:140643) is a carboxylic acid (CHEBI:33575) 6-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid (CHEBI:140643) is a phosphonic ester (CHEBI:37735) IUPAC Name 6-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid Synonym Source 6-[hydroxy[(4-nitrophenyl)methoxy]phosphinyl]hexanoic acid ChEBI Registry Number Type Source 8639551 Reaxys Registry Number Reaxys Citations Types Sources 10839182 PubMed citation Europe PMC 29496413 PubMed citation Europe PMC Last Modified 30 April 2018