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(R)-3-(indol-3-yl)-2-oxobutanoate

PropertiesImage
MNX_IDMNXM1105129 Image of MNXM1105129
referencechebi:91180
formulaC12H10NO3
global charge-1
mol weight216.216
InChIKeyVSANSNPZLCXLRK-SSDOTTSWSA-M
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)/p-1/t7-/m1/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-/m1/s1 Image of MNXM1105129
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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91180
chebi:91180
VSANSNPZLCXLRK-SSDOTTSWSA-M 		(R)-3-(indol-3-yl)-2-oxobutanoate
(3R)-3-(1H-indol-3-yl)-2-oxobutanoate
(R)-3-(indol-3-yl)-2-oxobutyrate

kegg.compound:C21289
keggC:C21289
VSANSNPZLCXLRK-SSDOTTSWSA-N 		(R)-3-(Indol-3-yl)-2-oxobutyrate
(R)-3-(Indol-3-yl)-2-oxobutanoate
(R)-beta-Methylindolepyruvate

metacyc.compound:CPD-398
metacycM:CPD-398
VSANSNPZLCXLRK-SSDOTTSWSA-M 		(R)-3-(indol-3-yl)-2-oxobutanoate
(R)-beta-methylindole-3-pyruvate
(R)-beta-methylindolepyruvate

CHEBI:112106
chebi:112106
VSANSNPZLCXLRK-SSDOTTSWSA-N 		(R)-3-(indol-3-yl)-2-oxobutyric acid
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
(R)-beta-methylindolepyruvic acid

seed.compound:cpd02432
seedM:cpd02432
VSANSNPZLCXLRK-SSDOTTSWSA-M 		(S)-beta-Methylindolepyruvate
(R)-3-(indol-3-yl)-2-oxobutanoate
(R)-beta-methylindole-3-pyruvate
(R)-beta-methylindolepyruvate
(S)-beta-methylindole-3-pyruvate
(S)-beta-methylindolepyruvate

keggC:M_C21289
seedM:M_cpd02432 		secondary/obsolete/fantasy identifier