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N-formylkynurenine

MNXM1288 is deprecated and here replaced by MNXM727852
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727852 Image of MNXM727852
referencechebi:18377
formulaC11H12N2O4
global charge0
mol weight236.227
InChIKeyBYHJHXPTQMMKCA-UHFFFAOYSA-N
InChIInChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
SMILESNC(CC(=O)C1=CC=CC=C1NC=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8? Image of MNXM727852
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([N:13]=[CH:6][OH:14])[C:7]([C:10]([CH2:5][CH:8]([C:11](=[O:16])[OH:17])[NH2:12])=[O:15])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-33179
reactomeM:R-ALL-33179
CHEBI:18377
chebi:18377
BYHJHXPTQMMKCA-UHFFFAOYSA-N 		N-formylkynurenine
2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
3-(2-formamidobenzoyl)alanine
N'-formylkynurenine
alpha-amino-2-(formylamino)-gamma-oxobenzenebutanoic acid
formylkynurenine

bigg.metabolite:Lfmkynr
biggM:Lfmkynr
BYHJHXPTQMMKCA-UHFFFAOYSA-N 		L Formylkynurenine
hmdb:HMDB0001200
BYHJHXPTQMMKCA-UHFFFAOYSA-N 		N'-Formylkynurenine
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
3-(2-Formamidobenzoyl)alanine
3-(N-Formylanthraniloyl)-alanine
Formylkynurenine
N'-formyl-kynurenine
N'-formylkynurenine, (R)-isomer
N'-formylkynurenine, (S)-isomer
N-Formyl-D-kynurenine
N-Formyl-L-kynurenine
N-Formyl-delta-kynurenine
N-Formylkynurenine
N-formylkynurenine
alpha-Amino-2-(formylamino)-gamma-oxo-benzenebutanoate
alpha-Amino-2-(formylamino)-gamma-oxo-benzenebutanoic acid

metacyc.compound:CPD-10488
metacycM:CPD-10488
BYHJHXPTQMMKCA-UHFFFAOYSA-N 		N-formyl-D-kynurenine

hmdb:HMDB01200
chebi:12509
chebi:5156
biggM:M_Lfmkynr 		secondary/obsolete/fantasy identifier