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

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5-hydroxy-L-kynurenine

	Properties	Image
MNX_ID	MNXM166598
reference	chebi:62624
formula	C₁₀H₁₂N₂O₄
global charge	0
mol weight	224.216
InChIKey	OTDQYOVYQQZAJL-QMMMGPOBSA-N
InChI	InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)/t8-/m0/s1
SMILES	NC1=CC=C(O)C=C1C(=O)C[C@H]([NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)/t8-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:7]([NH2:11])=[C:6]([C:9]([CH2:4][C@@H:8]([C:10](=[O:15])[OH:16])[NH2:12])=[O:14])[CH:3]=[C:5]1[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62624 chebi:62624 OTDQYOVYQQZAJL-QMMMGPOBSA-N	5-hydroxy-L-kynurenine 3-hydroxy-kynurenine 5-hydroxy-L-kynurenine zwitterion L-3-hydroxykynurenine
bigg.metabolite:5hxkyn biggM:5hxkyn OTDQYOVYQQZAJL-UHFFFAOYSA-N	5-Hydroxykynurenine
hmdb:HMDB0012819 OTDQYOVYQQZAJL-UHFFFAOYSA-N	5-Hydroxykynurenine 2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoate 2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid 2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid 5-Hydroxy-L-kynurenine 5-Hydroxykynurenine, (L)-isomer 5-hydroxykynurenine
seed.compound:cpd03362 seedM:cpd03362 kegg.compound:C05651 keggC:C05651 OTDQYOVYQQZAJL-QMMMGPOBSA-N	5-Hydroxykynurenine 5-Hydroxy-L-kynurenine
CHEBI:36408 chebi:36408 OTDQYOVYQQZAJL-QMMMGPOBSA-N	5-hydroxy-L-kynurenine (2S)-2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid 3-(2-amino-5-hydroxybenzoyl)-L-alanine 5-Hydroxy-L-kynurenine
vmhM:5hxkyn vmhmetabolite:5hxkyn OTDQYOVYQQZAJL-QMMMGPOBSA-N	5-hydroxykynurenine 2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid
CHEBI:2076 chebi:2076 OTDQYOVYQQZAJL-UHFFFAOYSA-N	5-hydroxykynurenine 2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid 3-(2-amino-5-hydroxybenzoyl)alanine 5-Hydroxykynurenine
hmdb:HMDB12819 chebi:20575 biggM:M_5hxkyn keggC:M_C05651 seedM:M_cpd03362 vmhM:M_5hxkyn	secondary/obsolete/fantasy identifier