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

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Anatabine

	Properties	Image
MNX_ID	MNXM10708
reference	chebi:2705
formula	C₁₀H₁₂N₂
global charge	0
mol weight	160.22
InChIKey	SOPPBXUYQGUQHE-JTQLQIEISA-N
InChI	InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
SMILES	C1=CN=CC([C@@H]2CC=CCN2)=C1

MNX internals

InChI (mnx)	InChI=1/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH2:7][NH:12][C@H:10]([C:9]2=[CH:8][N:11]=[CH:6][CH:3]=[CH:4]2)[CH2:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2705 chebi:2705 kegg.compound:C10126 keggC:C10126 SOPPBXUYQGUQHE-JTQLQIEISA-N	Anatabine (-)-Anatabine
hmdb:HMDB0004476 SOPPBXUYQGUQHE-JTQLQIEISA-N	Anatabine (-)-Anatabine (2S)-1,2,3,6-tetrahydro-2,3'-bipyridine anatabine
seed.compound:cpd07015 seedM:cpd07015 SOPPBXUYQGUQHE-JTQLQIEISA-O	Anatabine (-)-Anatabine 1,2,3,6-tetrahydro-2,3'-bipyridine anatabine
metacyc.compound:CPD-20057 metacycM:CPD-20057 SOPPBXUYQGUQHE-JTQLQIEISA-N	anatabine 1,2,3,6-tetrahydro-2,3'-bipyridine
hmdb:HMDB04476 keggC:M_C10126 seedM:M_cpd07015	secondary/obsolete/fantasy identifier