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

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strychnine

	Properties	Image
MNX_ID	MNXM12963
reference	chebi:90700
formula	C₂₁H₂₃N₂O₂
global charge	1
mol weight	335.427
InChIKey	QMGVPVSNSZLJIA-FVWCLLPLSA-O
InChI	InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/p+1/t13-,16-,17-,19-,20-,21+/m0/s1
SMILES	O=C1C[C@@H]2OCC=C3C[NH+]4CC[C@]56C7=CC=CC=C7N1[C@H]5[C@H]2[C@H]3C[C@H]46

MNX internals

InChI (mnx)	InChI=1/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:15]2[C:14](=[CH:3]1)[C@@:21]13[CH2:6][CH2:7][N:22]4[CH2:11][C:12]5=[CH:5][CH2:8][O:25][C@H:16]6[CH2:10][C:18](=[O:24])[N:23]2[C@H:20]1[C@H:19]6[C@H:13]5[CH2:9][C@@H:17]34

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90700 chebi:90700 QMGVPVSNSZLJIA-FVWCLLPLSA-O	strychnine 10-oxostrychnidin-19-ium strychnine cation strychnine(1+) strychninium ion
seed.compound:cpd03932 seedM:cpd03932 kegg.compound:C06522 keggC:C06522 QMGVPVSNSZLJIA-FVWCLLPLSA-N QMGVPVSNSZLJIA-FVWCLLPLSA-O	Strychnine
reactome:R-ALL-3296450 reactomeM:R-ALL-3296450 CHEBI:28973 chebi:28973 QMGVPVSNSZLJIA-FVWCLLPLSA-N	strychnine Strychnin Strychnine strychnidin-10-one
metacyc.compound:CPD-21554 metacycM:CPD-21554 QMGVPVSNSZLJIA-FVWCLLPLSA-O	strychnine strychnidin-10-one
chebi:26795 chebi:9293 keggC:M_C06522 seedM:M_cpd03932	secondary/obsolete/fantasy identifier