MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N-acetoxy-4-aminobiphenyl

	Properties	Image
MNX_ID	MNXM4698
reference	chebi:16395
formula	C₁₄H₁₃NO₂
global charge	0
mol weight	227.263
InChIKey	NRUZSSFWZUVQMS-UHFFFAOYSA-N
InChI	InChI=1S/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3
SMILES	CC(=O)ONC1=CC=C(C2=CC=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3
SMILES (mnx)	[CH3:1][C:11](=[O:16])[O:17][NH:15][C:14]1=[CH:10][CH:8]=[C:13]([C:12]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[CH:7]=[CH:9]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-158853 reactomeM:R-ALL-158853 CHEBI:16395 chebi:16395 NRUZSSFWZUVQMS-UHFFFAOYSA-N	N-acetoxy-4-aminobiphenyl N-Acetoxy-4-aminobiphenyl N-acetoxy-1,1'-biphenyl-4-amine N-acetyloxy-[1,1'-biphenyl]-4-amine N-hydroxy-4-aminobiphenyl O-acetylated conjugate O-acetyl-N-([1,1'-biphenyl]-4-yl)hydroxylamine
kegg.compound:C03621 keggC:C03621 vmhM:acabiph vmhmetabolite:acabiph NRUZSSFWZUVQMS-UHFFFAOYSA-N	N-Acetoxy-4-aminobiphenyl
seed.compound:cpd02275 seedM:cpd02275 NRUZSSFWZUVQMS-UHFFFAOYSA-N	N-Acetoxy-4-aminobiphenyl N-acetoxy-4-aminobiphenyl acetic acid (4-phenylphenyl)amino ester
metacyc.compound:N-ACETOXY-4-AMINOBIPHENYL metacycM:N-ACETOXY-4-AMINOBIPHENYL NRUZSSFWZUVQMS-UHFFFAOYSA-N	N-acetoxy-4-aminobiphenyl acetic acid (4-phenylphenyl)amino ester
chebi:12541 chebi:21493 chebi:32703 chebi:7103 keggC:M_C03621 seedM:M_cpd02275 vmhM:M_acabiph	secondary/obsolete/fantasy identifier