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

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3-hydroxykynurenamine

	Properties	Image
MNX_ID	MNXM36534
reference	chebi:27421
formula	C₉H₁₂N₂O₂
global charge	0
mol weight	180.207
InChIKey	ODOPEICAGBYCFH-UHFFFAOYSA-N
InChI	InChI=1S/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2
SMILES	NCCC(=O)C1=CC=CC(O)=C1N

MNX internals

InChI (mnx)	InChI=1/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([C:7]([CH2:4][CH2:5][NH2:10])=[O:12])=[C:9]([NH2:11])[C:8]([OH:13])=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27421 chebi:27421 ODOPEICAGBYCFH-UHFFFAOYSA-N	3-hydroxykynurenamine 3-amino-1-(2-amino-3-hydroxyphenyl)propan-1-one 3-hydroxy-kynurenamine
bigg.metabolite:3hxkynam biggM:3hxkynam seed.compound:cpd03347 seedM:cpd03347 kegg.compound:C05636 keggC:C05636 vmhM:3hxkynam vmhmetabolite:3hxkynam ODOPEICAGBYCFH-UHFFFAOYSA-N ODOPEICAGBYCFH-UHFFFAOYSA-O	3-Hydroxykynurenamine
hmdb:HMDB0060281 ODOPEICAGBYCFH-UHFFFAOYSA-N	3-Hydroxykynurenamine 3-amino-1-(2-amino-3-hydroxyphenyl)propan-1-one 3-hydroxykynurenamine
hmdb:HMDB60281 chebi:1546 chebi:20074 biggM:M_3hxkynam keggC:M_C05636 seedM:M_cpd03347 vmhM:M_3hxkynam	secondary/obsolete/fantasy identifier