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

Feedback

2-aminosulfonyl-benzoic acid methyl ester

	Properties	Image
MNX_ID	MNXM150493
reference	chebi:83512
formula	C₈H₉NO₄S
global charge	0
mol weight	215.23
InChIKey	VSOOBQALJVLTBH-UHFFFAOYSA-N
InChI	InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
SMILES	COC(=O)C1=C(S(N)(=O)=O)C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
SMILES (mnx)	[CH3:1][O:13][C:8]([C:6]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:7]1[S:14]([NH2:9])(=[O:11])=[O:12])=[O:10]

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
CHEBI:83512 chebi:83512 VSOOBQALJVLTBH-UHFFFAOYSA-N	2-aminosulfonyl-benzoic acid methyl ester 2-(aminosulfonyl)benzoic acid methyl ester 2-(methoxycarbonyl)benzenesulphonamide 2-methoxycarbonylphenylsulfonamide 2-sulfamoylbenzoic acid methyl ester methyl 2-sulfamoylbenzoate methyl o-sulphamoylbenzoate
envipath:...1f2bc6541475 envipathM:...1f2bc6541475 VSOOBQALJVLTBH-UHFFFAOYSA-N	IN-D5803 (Ester sulfonamide) D5803 Ester sulfonamide (IN-D5803) M05 (MKH 651 sulfonamide methyl ester) Sulfonamide
envipath:...ddf6a081ea2c envipathM:...ddf6a081ea2c VSOOBQALJVLTBH-UHFFFAOYSA-N	IN-D5803 (Ester sulfonamide) Ester sulfonamide (IN-D5803)
envipath:...e492f377dfac envipathM:...e492f377dfac envipath:...0cda0fcbc309 envipathM:...0cda0fcbc309 VSOOBQALJVLTBH-UHFFFAOYSA-N	Spike compound 0000128
envipath:...b203fef5ec46 envipathM:...b203fef5ec46 envipath:...66be193192be envipathM:...66be193192be VSOOBQALJVLTBH-UHFFFAOYSA-N	Spike compound 0000361
envipath:...f4c5276b0fa1 envipathM:...f4c5276b0fa1 VSOOBQALJVLTBH-UHFFFAOYSA-N	compound 0040391
envipath:...88a7c36e8b3f envipathM:...88a7c36e8b3f VSOOBQALJVLTBH-UHFFFAOYSA-N	compound 0040404