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

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OR-1855

	Properties	Image
MNX_ID	MNXM159030
reference	chebi:193746
formula	C₁₁H₁₃N₃O
global charge	0
mol weight	203.245
InChIKey	GDMRFHZLKNYRRO-SSDOTTSWSA-N
InChI	InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
SMILES	C[C@@H]1CC(=O)NN=C1C1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
SMILES (mnx)	[CH3:1][C@@H:7]1[CH2:6][C:10]([OH:15])=[N:13][N:14]=[C:11]1[C:8]1=[CH:3][CH:5]=[C:9]([NH2:12])[CH:4]=[CH:2]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
CHEBI:193746 chebi:193746 GDMRFHZLKNYRRO-SSDOTTSWSA-N	OR-1855 (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
hmdb:HMDB0060860 GDMRFHZLKNYRRO-SSDOTTSWSA-N	OR-1855 ((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile (5R)-6-(4-aminophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one (5R)-6-(4-aminophenyl)-5-methyl-4,5-dihydro-2H-pyridazin-3-one Dextrosimendan Levosimendan Simadax Simendan
hmdb:HMDB60860	secondary/obsolete/fantasy identifier