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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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methyl (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate
Properties
Image
Occurences in reactions
MNX_ID
MNXM1100762
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
13
H
13
N
2
O
2
charge
1
mass
229.09715
reference
seedM:cpd34353
InChIKey
BLNJASSNJNEKHB-LBPRGKRZSA-N
InChI
InChI=1S/C13H13N2O2/c1-14-12(13(16)17-2)7-9-8-15-11-6-4-3-5-10(9)11/h1,3-6,8,12,15H,7H2,2H3/q+1/t12-/m0/s1
SMILES
C#[N+][C@@H](Cc1c[nH]c2ccccc12)C(=O)OC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd34353
seedM:cpd34353
methyl (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate
seedM:M_cpd34353
secondary/obsolete/fantasy identifier