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L-kynurenine

MNXM260 is deprecated and here replaced by MNXM733142
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733142 Image of MNXM733142
referencechebi:57959
formulaC10H12N2O3
global charge0
mol weight208.217
InChIKeyYGPSJZOEDVAXAB-QMMMGPOBSA-N
InChIInChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
SMILESNC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 Image of MNXM733142
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([NH2:11])[C:6]([C:9]([CH2:5][C@@H:8]([C:10](=[O:14])[OH:15])[NH2:12])=[O:13])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)57
in models (compartimentalized) 34
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57959
chebi:57959
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-kynurenine
(2S)-4-(2-aminophenyl)-2-ammonio-4-oxobutanoate
(2S)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate
L-kynurenine zwitterion
hmdb:HMDB0250769
YGPSJZOEDVAXAB-UHFFFAOYSA-N 		D-Kynurenine
(+-)-kynurenine
2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
3-Anthraniloylalanine

kegg.compound:C01718
keggC:C01718
YGPSJZOEDVAXAB-UHFFFAOYSA-N 		Kynurenine
3-Anthraniloylalanine

seed.compound:cpd01183
seedM:cpd01183
YGPSJZOEDVAXAB-UHFFFAOYSA-N 		Kynurenine
3-Anthraniloylalanine
L-kynurenine
kynurenine

bigg.metabolite:Lkynr
biggM:Lkynr
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L Kynurenine
hmdb:HMDB0000684
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-Kynurenine
(2S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoate
(2S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
(AlphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-benzenebutanoate
(AlphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-benzenebutanoic acid
(S)-alpha,2-Diamino-3-hydroxy-gamma-oxo-benzenebutanoate
(S)-alpha,2-Diamino-3-hydroxy-gamma-oxo-benzenebutanoic acid
3-(3-Hydroxyanthraniloyl)-L-alanine
3-Anthraniloyl-L-alanine
3-Anthraniloyl-alanine
3-Anthraniloylalanine
3-Hydroxy-L-kynurenine
DL-Kynurenine
DL-Kynureninefree base
KYNURENINE
Kynurenin
L-kynurenine
Quinurenine
alpha,2-Diamino-gamma-oxo-benzenebutanoate
alpha,2-Diamino-gamma-oxo-benzenebutanoic acid

sabiork.compound:5046
sabiorkM:5046
kegg.compound:C00328
keggC:C00328
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-Kynurenine
3-Anthraniloyl-L-alanine

seed.compound:cpd00275
seedM:cpd00275
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-Kynurenine
3-Anthraniloyl-L-alanine
kynr-L

CHEBI:67010
chebi:67010
YGPSJZOEDVAXAB-QMMMGPOBSA-M 		L-kynureninate
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoate
3-(2-aminobenzoyl)-L-alanine(1-)

vmhM:Lkynr
vmhmetabolite:Lkynr
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-kynurenine
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid

reactome:R-ALL-29970
reactomeM:R-ALL-29970
reactome:R-ALL-893607
reactomeM:R-ALL-893607
CHEBI:16946
chebi:16946
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-kynurenine
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
3-(2-aminobenzoyl)-L-alanine
3-Anthraniloyl-L-alanine
KYNURENINE
L-Kynurenine

metacyc.compound:CPD-14736
metacycM:CPD-14736
seed.compound:cpd30794
seedM:cpd30794
YGPSJZOEDVAXAB-QMMMGPOBSA-N 		L-kynurenine
kynurenine

envipath:...91505f991bf4
envipathM:...91505f991bf4
YGPSJZOEDVAXAB-UHFFFAOYSA-N 		compound 0047126

CHEBI:67008
chebi:67008
YGPSJZOEDVAXAB-UHFFFAOYSA-M 		kynureninate
2-amino-4-(2-aminophenyl)-4-oxobutanoate

CHEBI:28683
chebi:28683
YGPSJZOEDVAXAB-UHFFFAOYSA-N 		kynurenine
2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Kynurenine

hmdb:HMDB0000183
hmdb:HMDB00183
hmdb:HMDB00684
chebi:13129
chebi:21346
chebi:24992
chebi:43628
chebi:6148
chebi:6258
biggM:M_Lkynr
keggC:M_C00328
keggC:M_C01718
seedM:M_cpd00275
seedM:M_cpd01183
seedM:M_cpd30794
vmhM:M_Lkynr 		secondary/obsolete/fantasy identifier