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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Troclosene sodium
Properties
Image
MNX_ID
MNXM161964
reference
keggD:D08651
formula
C
3
Cl
2
N
3
NaO
3
global charge
0
mol weight
219.947
InChIKey
MSFGZHUJTJBYFA-UHFFFAOYSA-M
InChI
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
SMILES
O=C1N=C([O-])N(Cl)C(=O)N1Cl.[Na+]
MNX internals
InChI (mnx)
InChI=1/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1
SMILES (mnx)
[C:1]1([OH:9])=[N:6][C:2](=[O:10])[N:8]([Cl:5])[C:3](=[O:11])[N:7]1[Cl:4].[Na+:12]
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
Identifier
Description
kegg.drug:D08651
keggD:D08651
MSFGZHUJTJBYFA-UHFFFAOYSA-M
Troclosene sodium
Klorsept (TN)
Sodium dichloroisocyanurate
keggD:M_D08651
secondary/obsolete/fantasy identifier