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

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2-hydroxyethane-1-sulfonate

	Properties	Image
MNX_ID	MNXM1630
reference	chebi:61904
formula	C₂H₅O₄S
global charge	-1
mol weight	125.125
InChIKey	SUMDYPCJJOFFON-UHFFFAOYSA-M
InChI	InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)/p-1
SMILES	O=S(=O)([O-])CCO

MNX internals

InChI (mnx)	InChI=1/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
SMILES (mnx)	[CH2:1]([CH2:2][S:7]([OH:4])(=[O:5])=[O:6])[OH:3]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61904 chebi:61904 SUMDYPCJJOFFON-UHFFFAOYSA-M	2-hydroxyethane-1-sulfonate 2-Hydroxyethanesulfonate(1-) Isethionate(1-) isethionate
hmdb:HMDB0003903 SUMDYPCJJOFFON-UHFFFAOYSA-N	2-Hydroxyethanesulfonate (2-Hydroxyethyl)sulfonate (2-Hydroxyethyl)sulfonic acid 2-Hydroxyethane-1-sulfonate 2-Hydroxyethane-1-sulfonic acid 2-Hydroxyethane-1-sulphonate 2-Hydroxyethane-1-sulphonic acid 2-Hydroxyethanesulfonic acid 2-Hydroxyethanesulphonate 2-Hydroxyethanesulphonic acid 2-Hydroxyethylsulfonate 2-Hydroxyethylsulfonic acid 2-Hydroxyethylsulphonate 2-Hydroxyethylsulphonic acid 2-hydroxyethane-1-sulfonic acid Acid, hydroxyethylsulfonic Acid, isethionic Ethanolsulfonate Ethanolsulfonic acid Hydroxyethylsulfonate Hydroxyethylsulfonic acid Isethionate Isethionate, sodium Isethionic acid Isethionic acid monoammonium salt Isethionic acid monopotassium salt Isethionic acid monosodium salt Isethionic acid sodium salt Kyselina isethionova Potassium 2-hydroxyethanesulfonate Potassium isethionate Sodium 2-hydroxyethanesulfonate Sodium 2-hydroxyethyl sulfonate Sodium beta-hydroxyethanesulfonate Sodium isethionate b-Hydroxyethanesulfonate b-Hydroxyethanesulfonic acid b-Hydroxyethanesulphonate b-Hydroxyethanesulphonic acid beta-Hydroxyethanesulfonate beta-Hydroxyethanesulfonic acid beta-Hydroxyethanesulphonate beta-Hydroxyethanesulphonic acid beta-hydroxyethanesulfonate beta-hydroxyethanesulfonic acid beta-hydroxyethanesulphonate beta-hydroxyethanesulphonic acid sodium isethionate
kegg.compound:C05123 keggC:C05123 SUMDYPCJJOFFON-UHFFFAOYSA-N	2-Hydroxyethanesulfonate 2-Hydroxyethane-1-sulfonic acid 2-Hydroxyethanesulfonic acid Isethionate Isethionic acid
bigg.metabolite:istnt biggM:istnt	Isethionate
seed.compound:cpd03048 seedM:cpd03048 SUMDYPCJJOFFON-UHFFFAOYSA-M	Isethionate 2-Hydroxyethane-1-sulfonic acid 2-Hydroxyethanesulfonate 2-Hydroxyethanesulfonic acid 2-hydroxyethane-1-sulfonic acid 2-hydroxyethanesulfonate 2-hydroxyethanesulfonic acid Isethionic acid isethionate isethionic acid istnt
bigg.metabolite:isetac biggM:isetac SUMDYPCJJOFFON-UHFFFAOYSA-M	Isethionic acid
vmhM:isetac vmhmetabolite:isetac SUMDYPCJJOFFON-UHFFFAOYSA-M	Isethionic acid 2-hydroxyethane-1-sulfonic acid
metacyc.compound:CPD-3745 metacycM:CPD-3745 SUMDYPCJJOFFON-UHFFFAOYSA-M	isethionate 2-hydroxyethane-1-sulfonate 2-hydroxyethane-1-sulfonic acid 2-hydroxyethanesulfonate 2-hydroxyethanesulfonic acid isethionic acid
CHEBI:1157 chebi:1157 SUMDYPCJJOFFON-UHFFFAOYSA-N	isethionic acid 2-Hydroxyethane-1-sulfonic acid 2-Hydroxyethanesulfonic acid 2-hydroxyethanesulfonic acid 2-hydroxyethylsulfonic acid beta-hydroxyethanesulfonic acid
hmdb:HMDB03903 biggM:M_isetac biggM:M_istnt keggC:M_C05123 seedM:M_cpd03048 vmhM:M_isetac	secondary/obsolete/fantasy identifier