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

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5-hydroxykynurenamine

	Properties	Image
MNX_ID	MNXM3508
reference	chebi:62214
formula	C₉H₁₃N₂O₂
global charge	1
mol weight	181.215
InChIKey	JANBBPTXDKFOQR-UHFFFAOYSA-O
InChI	InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2/p+1
SMILES	NC1=C(C(=O)CC[NH3+])C=C(O)C=C1

MNX internals

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

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:62214 chebi:62214 JANBBPTXDKFOQR-UHFFFAOYSA-O	5-hydroxykynurenamine 3-(2-amino-5-hydroxyphenyl)-3-oxopropan-1-aminium 5-hydroxykynurenamine(1+) 5-hydroxykynurenaminium cation 5-hydroxykynurenaminium(1+)
bigg.metabolite:5hxkynam biggM:5hxkynam seed.compound:cpd03349 seedM:cpd03349 kegg.compound:C05638 keggC:C05638 JANBBPTXDKFOQR-UHFFFAOYSA-N JANBBPTXDKFOQR-UHFFFAOYSA-O	5-Hydroxykynurenamine
hmdb:HMDB0004076 JANBBPTXDKFOQR-UHFFFAOYSA-N	5-Hydroxykynurenamine 3-Amino-1-(2-amino-5-hydroxyphenyl)-1-propanone 3-amino-1-(2-amino-5-hydroxyphenyl)propan-1-one 5-Hydroxykynuramine 5-Hydroxykynuramine dihydrobromide 5-Hydroxykynuramine dihydrochloride 5-Hydroxykynuramine monohydrobromide 5-hydroxykynurenamine Mausamine Mousamine
vmhM:5hxkynam vmhmetabolite:5hxkynam JANBBPTXDKFOQR-UHFFFAOYSA-O	5-Hydroxykynurenamine 3-amino-1-(2-amino-5-hydroxyphenyl)propan-1-one
CHEBI:28715 chebi:28715 JANBBPTXDKFOQR-UHFFFAOYSA-N	5-hydroxykynurenamine 3-Amino-1-(2-amino-5-hydroxyphenyl)-1-propanone 5-Hydroxykynurenamine Mausamine Mousamine
hmdb:HMDB04076 chebi:20589 chebi:2075 biggM:M_5hxkynam keggC:M_C05638 seedM:M_cpd03349 vmhM:M_5hxkynam	secondary/obsolete/fantasy identifier