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

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cathinone

	Properties	Image
MNX_ID	MNXM3559
reference	chebi:4110
formula	C₉H₁₁NO
global charge	0
mol weight	149.193
InChIKey	PUAQLLVFLMYYJJ-ZETCQYMHSA-N
InChI	InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1
SMILES	C[C@H](N)C(=O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:7]([C:9]([C:8]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[O:11])[NH2:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4110 chebi:4110 PUAQLLVFLMYYJJ-ZETCQYMHSA-N	cathinone (2S)-2-amino-1-phenylpropan-1-one Cathinone D-Cathinone Norephedrone cathinonum catinona
metacyc.compound:CPD-9950 metacycM:CPD-9950 PUAQLLVFLMYYJJ-ZETCQYMHSA-O	(S)-cathinone (S)-(-)-2-amino-1-phenylpropan-1-one
kegg.compound:C08301 keggC:C08301 PUAQLLVFLMYYJJ-ZETCQYMHSA-N	Cathinone (-)-Cathinone (2S)-2-Amino-1-phenylpropan-1-one
seed.compound:cpd05216 seedM:cpd05216 PUAQLLVFLMYYJJ-ZETCQYMHSA-O	Cathinone (S)-(-)-2-amino-1-phenylpropan-1-one D-Cathinone cathinone
keggC:M_C08301 seedM:M_cpd05216	secondary/obsolete/fantasy identifier