EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:49432 - 5-hydroxyectoine
| Formula | C6H10N2O3 |
| Net Charge | 0 |
| Average Mass | 158.157 |
| Monoisotopic Mass | 158.06914 |
| SMILES | CC1=N[C@H](C(=O)O)[C@@H](O)CN1 |
| InChI | InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1 |
| InChIKey | KIIBBJKLKFTNQO-WHFBIAKZSA-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) |
| 5-hydroxyectoine (CHEBI:49432) is a 1,4,5,6-tetrahydropyrimidines (CHEBI:78715) |
| 5-hydroxyectoine (CHEBI:49432) is a carboxamidine (CHEBI:35359) |
| 5-hydroxyectoine (CHEBI:49432) is a monocarboxylic acid (CHEBI:25384) |
| 5-hydroxyectoine (CHEBI:49432) is a secondary alcohol (CHEBI:35681) |
| 5-hydroxyectoine (CHEBI:49432) is conjugate acid of 5-hydroxyectoinate (CHEBI:63524) |
| 5-hydroxyectoine (CHEBI:49432) is tautomer of 5-hydroxyectoine zwitterion (CHEBI:85413) |
| Incoming Relation(s) |
| 5-hydroxyectoinate (CHEBI:63524) is conjugate base of 5-hydroxyectoine (CHEBI:49432) |
| 5-hydroxyectoine zwitterion (CHEBI:85413) is tautomer of 5-hydroxyectoine (CHEBI:49432) |
| IUPAC Name |
|---|
| (4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
| Synonyms | Source |
|---|---|
| (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID | PDBeChem |
| (S,S)-2-methyl-5-hydroxy-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid | ChEBI |
| hydroxyectoine | ChEBI |
| 4-pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S,5S)- | ChEBI |
| β-hydroxyectoine | ChEBI |
| (4S,5S)-2-methyl-4-carboxy-5-hydroxy-3,4,5,6-tetrahydropyrimidine | ChEBI |
| Citations |
|---|