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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umifenovir
Properties
Image
Occurences in reactions
MNX_ID
MNXM162017
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
22
H
25
BrN
2
O
3
S
charge
0
mass
476.07693
reference
chebi:134730
InChIKey
KCFYEAOKVJSACF-UHFFFAOYSA-N
InChI
InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
SMILES
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:134730
chebi:134730
umifenovir
arbidol
arbidole
kegg.drug:D10558
keggD:D10558
Umifenovir (INN)
keggD:M_D10558
secondary/obsolete/fantasy identifier