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(S)-3-(indol-3-yl)-2-oxobutyric acid

MNXM3408 is deprecated and here replaced by MNXM1105127
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105127 Image of MNXM1105127
referencechebi:16083
formulaC12H11NO3
global charge0
mol weight217.224
InChIKeyVSANSNPZLCXLRK-ZETCQYMHSA-N
InChIInChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1
SMILESC[C@H](C(=O)C(=O)O)C1=CNC2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1 Image of MNXM1105127
SMILES (mnx)[CH3:1][C@@H:7]([C:9]1=[CH:6][NH:13][C:10]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]12)[C:11]([C:12]([OH:15])=[O:16])=[O:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16083
chebi:16083
VSANSNPZLCXLRK-ZETCQYMHSA-N 		(S)-3-(indol-3-yl)-2-oxobutyric acid
(3S)-3-(1H-indol-3-yl)-2-oxobutanoic acid
(S)-beta-Methylindolepyruvate
(S)-beta-methylindolepyruvic acid

CHEBI:57633
chebi:57633
VSANSNPZLCXLRK-ZETCQYMHSA-M 		(S)-3-(indol-3-yl)-2-oxobutyrate
(3S)-3-(1H-indol-3-yl)-2-oxobutanoate

chebi:12415
chebi:18771
chebi:18772
chebi:443 		secondary/obsolete/fantasy identifier