MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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acibenzolar-S-methyl

	Properties	Image
MNX_ID	MNXM151776
reference	chebi:73178
formula	C₈H₆N₂OS₂
global charge	0
mol weight	210.283
InChIKey	UELITFHSCLAHKR-UHFFFAOYSA-N
InChI	InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
SMILES	CSC(=O)C1=CC=CC2=C1SN=N2

MNX internals

InChI (mnx)	InChI=1/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
SMILES (mnx)	[CH3:1][S:12][C:8]([C:5]1=[C:7]2[C:6](=[CH:4][CH:2]=[CH:3]1)[N:9]=[N:10][S:13]2)=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73178 chebi:73178 UELITFHSCLAHKR-UHFFFAOYSA-N	acibenzolar-S-methyl 1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester 7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole Actigard BTH S-methyl 1,2,3-benzothiadiazole-7-carbothioate S-methyl benzo[1,2,3]thiadiazole-7-carbothioate benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester
seed.compound:cpd32382 seedM:cpd32382 UELITFHSCLAHKR-UHFFFAOYSA-N	ASM BTH derivative acibenzolar-S-methyl benzo(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester benzothiadiazole derivative
envipath:...a104b2f1acb0 envipathM:...a104b2f1acb0 envipath:...47554f9dd7aa envipathM:...47554f9dd7aa UELITFHSCLAHKR-UHFFFAOYSA-N	Acibenzolar-S-Methyl
metacyc.compound:CPD-19219 metacycM:CPD-19219 UELITFHSCLAHKR-UHFFFAOYSA-N	acibenzolar-S-methyl ASM BTH derivative benzo(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester benzothiadiazole derivative
envipath:...82ab462f56ee envipathM:...82ab462f56ee UELITFHSCLAHKR-UHFFFAOYSA-N	compound 0044621
seedM:M_cpd32382	secondary/obsolete/fantasy identifier