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

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aniline

	Properties	Image
MNX_ID	MNXM741
reference	chebi:17296
formula	C₆H₇N
global charge	0
mol weight	93.129
InChIKey	PAYRUJLWNCNPSJ-UHFFFAOYSA-N
InChI	InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
SMILES	NC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([NH2:7])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17296 chebi:17296 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	aniline ANILINE Anilin Aniline Benzenamine Phenylamine aminobenzene aminophen benzeneamine kyanol
envipath:...db4c4291663c envipathM:...db4c4291663c envipath:...fcfb2a51fe62 envipathM:...fcfb2a51fe62 envipath:...c6e5ac4ba365 envipathM:...c6e5ac4ba365 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	Aniline
hmdb:HMDB0003012 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	Aniline Aminobenzene Aminophen Anilin Anilina Aniline aluminium salt Aniline dihydrofluoride Aniline diphosphate (1:1) Aniline diphosphate (3:1) Aniline diphosphate (4:1) Aniline hydrobromide Aniline hydrochloride Aniline hydrochloride-(14)C-labeled CPD Aniline hydrochloride-(15)N-labeled CPD Aniline hydrofluoride Aniline hydrogen iodide Aniline monosulfate Aniline nitrate Aniline perchlorate Aniline phosphate (1:1) Aniline phosphate (1:2) Aniline phosphate (2:1) Aniline phosphonate (1:1) Aniline reagent Aniline sulfate Aniline sulfate (2:1) Aniline sulfate (2:1), (14)C-labeled CPD Aniline, (13)C-labeled CPD Aniline, (14)C-labeled CPD Aniline, 15N-labeled CPD Aniline, 2-(13)C-labeled CPD Aniline, 3-(13)C-labeled CPD Aniline, 3H-labeled CPD Aniline, 4-(13)C-labeled CPD Aniline, conjugate acid Aniline, ion(1+) Aniline, magnesium (1:1) salt Aniline, monolithium salt Aniline, sodium salt Anyvim Arylamine Benzenamine Benzeneamine Benzidam Cyanol D'Aniline Krystallin Kyanol Phenylamine aniline
kegg.compound:C00292 keggC:C00292 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	Aniline Arylamine Benzenamine Phenylamine
seed.compound:cpd00245 seedM:cpd00245 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	Aniline Arylamine Benzenamine Phenylamine aminobenzene aniline benzenamine phenylamine
sabiork.compound:5033 sabiorkM:5033 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	Aniline Benzenamine Phenylamine
vmhM:M01341 vmhmetabolite:M01341 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	Aniline aniline
metacyc.compound:ANILINE metacycM:ANILINE PAYRUJLWNCNPSJ-UHFFFAOYSA-N	aniline aminobenzene benzenamine phenylamine
envipath:...6caaa3b3a684 envipathM:...6caaa3b3a684 PAYRUJLWNCNPSJ-UHFFFAOYSA-N	compound 0038525
hmdb:HMDB03012 chebi:13834 chebi:22561 chebi:2732 chebi:40796 keggC:M_C00292 seedM:M_cpd00245 vmhM:M_M01341	secondary/obsolete/fantasy identifier