MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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isothiocyanate
Properties
Image
Occurences in reactions
MNX_ID
MNXM722987
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
CNS
charge
-1
mass
57.97569
reference
metacycM:CPD-19512
InChIKey
ZBKFYXZXZJPWNQ-UHFFFAOYSA-N
InChI
InChI=1S/CNS/c2-1-3/q-1
SMILES
[N-]=C=S
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-19512
metacycM:CPD-19512
isothiocyanate
isothiocyanic acid