Universal:isetac
isethionate
Default Component
isetac:-1
- isethionate
- Charge: -1
- Formula: C2H5O4S
CHEBI:61904
- isethionate
- Type: Small Molecule
- InChiKey: SUMDYPCJJOFFON-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 125.124[0], 125.0[1]
- SMILES: O=S(=O)([O-])CCO[0,1]
- Names: Isethionate(1-)[0], 2-Hydroxyethanesulfonate(1-)[0], 2-hydroxyethane-1-sulfonate[0], Isethionate[1], 2-Hydroxyethane-1-sulfonic acid[1], 2-Hydroxyethanesulfonate[1], 2-Hydroxyethanesulfonic acid[1], 2-hydroxyethane-1-sulfonic acid[1], 2-hydroxyethanesulfonate[1], 2-hydroxyethanesulfonic acid[1], Isethionic acid[1], isethionate[1], isethionic acid[1]
Linkouts
- CHEBI: CHEBI:61904 [0]
- SEED Compound: cpd03048 [1]
- KEGG Compound: C05123 [1]
- MetaCyc Compound: CPD-3745 [1]
- MetaNetX Chemical: MNXM1630 [1]
Alternative Component
isetac:0
- isethionic acid
- Charge: 0
- Formula: C2H6O4S
CHEBI:1157
- isethionic acid
- Type: Small Molecule
- InChiKey: SUMDYPCJJOFFON-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 126.132[0]
- SMILES: O=S(=O)(O)CCO[0]
- Names: 2-Hydroxyethanesulfonic acid[0], 2-Hydroxyethane-1-sulfonic acid[0], 2-hydroxyethanesulfonic acid[0], 2-hydroxyethylsulfonic acid[0], beta-hydroxyethanesulfonic acid[0]
Linkouts
- CHEBI: CHEBI:1157 [0]
- KEGG Compound: C05123 [0]
- MetaCyc Compound: CPD-3745 [0]
- Wikipedia: Isethionic_acid [0]
- HMDB: HMDB0003903 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |