EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | (CH2)n.C6H10O5S |
| Net Charge | 0 |
| Average Mass | 208.235 |
| Monoisotopic Mass | 208.04054 |
| SMILES | CSCCC(C(=O)O)C(O)C(=O)O |
| InChI | InChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12) |
| InChIKey | UZRMQJKPFRLIDG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) has functional parent malic acid (CHEBI:6650) |
| 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) is a 2-hydroxydicarboxylic acid (CHEBI:50263) |
| 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) is a methyl sulfide (CHEBI:86315) |
| 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) is a secondary alcohol (CHEBI:35681) |
| 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) is a sulfur-containing carboxylic acid (CHEBI:33576) |
| 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) is conjugate acid of 3-(ω-methylthio)alkylmalate(2−) (CHEBI:133496) |
| Incoming Relation(s) |
| 3-(2-methylthioethyl)malic acid (CHEBI:134533) is a 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) |
| 3-(3-methylthio)propylmalic acid (CHEBI:134537) is a 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) |
| 3-(ω-methylthio)alkylmalate(2−) (CHEBI:133496) is conjugate base of 3-(ω-methylthio)alkylmalic acid (CHEBI:134532) |
| Synonym | Source |
|---|---|
| 3-(ω-methylthio)alkylmalic acids | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-19483 | MetaCyc |