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

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quinoline

	Properties	Image
MNX_ID	MNXM4096
reference	chebi:17362
formula	C₉H₇N
global charge	0
mol weight	129.162
InChIKey	SMWDFEZZVXVKRB-UHFFFAOYSA-N
InChI	InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
SMILES	C1=CC2=C(C=C1)N=CC=C2

MNX internals

InChI (mnx)	InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
SMILES (mnx)	[CH:1]1=[CH:2][CH:6]=[C:9]2[C:8](=[CH:4]1)[CH:5]=[CH:3][CH:7]=[N:10]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9737175 reactomeM:R-ALL-9737175 CHEBI:17362 chebi:17362 SMWDFEZZVXVKRB-UHFFFAOYSA-N	quinoline Chinolin Quinoline benzo[b]pyridine
hmdb:HMDB0033731 SMWDFEZZVXVKRB-UHFFFAOYSA-N	Quinoline 1-Azanaphthalene 1-Benzazine 1-Benzine 2,3-Benzopyridine Benzo[b]pyridine Chinoleine Chinolin Chinoline FEMA 3470 Leucol Leukol Quinolin Quinoline (8ci,9ci) Quinoline hydrochloride benzo(b)Pyridine cinch quinoline
kegg.compound:C06413 keggC:C06413 SMWDFEZZVXVKRB-UHFFFAOYSA-N	Quinoline Benzo[b]pyridine
seed.compound:cpd03836 seedM:cpd03836 SMWDFEZZVXVKRB-UHFFFAOYSA-N	Quinoline Benzo[b]pyridine quinoline
metacyc.compound:QUINOLINE metacycM:QUINOLINE SMWDFEZZVXVKRB-UHFFFAOYSA-N	quinoline
hmdb:HMDB33731 chebi:15007 chebi:8727 keggC:M_C06413 seedM:M_cpd03836	secondary/obsolete/fantasy identifier