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

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biphenyl-4-amine

	Properties	Image
MNX_ID	MNXM3228
reference	chebi:1784
formula	C₁₂H₁₁N
global charge	0
mol weight	169.227
InChIKey	DMVOXQPQNTYEKQ-UHFFFAOYSA-N
InChI	InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
SMILES	NC1=CC=C(C2=CC=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]([C:11]2=[CH:7][CH:9]=[C:12]([NH2:13])[CH:8]=[CH:6]2)[CH:5]=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-47687 reactomeM:R-ALL-47687 CHEBI:1784 chebi:1784 DMVOXQPQNTYEKQ-UHFFFAOYSA-N	biphenyl-4-amine 4-Aminobiphenyl 4-amino-1,1'-biphenyl 4-aminodiphenyl 4-biphenylamine [1,1'-biphenyl]-4-amine biphenyl-4-ylamine p-aminodiphenyl p-biphenylamine p-phenylaniline p-xenylamine paraaminodiphenyl
seed.compound:cpd07883 seedM:cpd07883 kegg.compound:C10998 keggC:C10998 DMVOXQPQNTYEKQ-UHFFFAOYSA-N	4-Aminobiphenyl
hmdb:HMDB0013195 DMVOXQPQNTYEKQ-UHFFFAOYSA-N	4-Aminobiphenyl (1,1'-Biphenyl)-4-amine (4-Phenyl-phenyl)-amine 4-Amino-1,1'-biphenyl 4-Aminobifenyl 4-Aminodifenil 4-Aminodiphenyl 4-Bifenylamin 4-Biphenylamine 4-Biphenylamine hydrochloride 4-Biphenylnitrenium ion 4-Biphenylylamine 4-Phenylaniline 4-aminobiphenyl Aminobiphenyl Biphenyl-4-amine Biphenyl-4-ylamine Biphenylamine P-Aminobiphenyl Paraaminodiphenyl Xenylamin Xenylamine [1,1'-Biphenyl]-4-amine [1,1'-Biphenyl]-4-amine (acd/name 4.0) [1,1'-Biphenyl]-4-ylamine (acd/name 4.0) [1,1'-biphenyl]-4-amine p-Aminodiphenyl p-Biphenylamine p-Phenylaniline p-Xenylamine {[1,1'-biphenyl]-4-amine}
hmdb:HMDB13195 keggC:M_C10998 seedM:M_cpd07883	secondary/obsolete/fantasy identifier