EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4H8O3 |
| Net Charge | 0 |
| Average Mass | 104.105 |
| Monoisotopic Mass | 104.04734 |
| SMILES | C[C@H](CO)C(=O)O |
| InChI | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 |
| InChIKey | DBXBTMSZEOQQDU-GSVOUGTGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (24023812) | ||
| blood (UBERON:0000178) | PubMed (2614280) | ||
| cerebrospinal fluid (UBERON:0001359) | PubMed (18502700) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID (CHEBI:49643) is a 3-hydroxy carboxylic acid (CHEBI:61355) |
| (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID (CHEBI:49643) is conjugate acid of (R)-3-hydroxyisobutyrate (CHEBI:141211) |
| Incoming Relation(s) |
| (R)-3-hydroxyisobutyrate (CHEBI:141211) is conjugate base of (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID (CHEBI:49643) |
| Synonyms | Source |
|---|---|
| (2R)-3-hydroxy-2-methylpropanoic acid | PDBeChem |
| (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID | PDBeChem |
| D-(-)-3-Hydroxyisobutyrate | HMDB |
| R-b-Hydroxyisobutyric acid | HMDB |
| R-b-Hydroxyisobutyrate | HMDB |
| delta-beta-Hydroxyisobutyrate | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HIU | PDBeChem |
| HMDB0000336 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:1910-47-0 | KEGG COMPOUND |
| Citations |
|---|