EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H12O3 |
| Net Charge | 0 |
| Average Mass | 132.159 |
| Monoisotopic Mass | 132.07864 |
| SMILES | CC[C@@H](C)[C@@H](O)C(=O)O |
| InChI | InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 |
| InChIKey | RILPIWOPNGRASR-RFZPGFLSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (24023812) | ||
| saliva (UBERON:0001836) | PubMed (22308371) | ||
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS345) | From MetaboLights |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-2-hydroxy-3-methylpentanoic acid (CHEBI:89228) is a (2R)-2-hydroxy monocarboxylic acid (CHEBI:17893) |
| (2R,3R)-2-hydroxy-3-methylpentanoic acid (CHEBI:89228) is a 2-hydroxy-3-methylpentanoic acid (CHEBI:133083) |
| (2R,3R)-2-hydroxy-3-methylpentanoic acid (CHEBI:89228) is conjugate acid of (2R,3R)-2-hydroxy-3-methylpentanoate (CHEBI:133082) |
| Incoming Relation(s) |
| (2R,3R)-2-hydroxy-3-methylpentanoate (CHEBI:133082) is conjugate base of (2R,3R)-2-hydroxy-3-methylpentanoic acid (CHEBI:89228) |
| IUPAC Name |
|---|
| (2R,3R)-2-hydroxy-3-methylpentanoic acid |
| Synonyms | Source |
|---|---|
| 2-Hydroxy-3-methyl-pentanoate | HMDB |
| 2-Hydroxy-3-methylpentanoate | HMDB |
| 2-Hydroxy-3-methyl-pentanoic acid | HMDB |
| 2-Hydroxy-3-methylvalerate | HMDB |
| 2-Hydroxy-3-methyl-Valerate | HMDB |
| 2-Hydroxy-3-methyl-valeric acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000317 | HMDB |
| LMFA01050380 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1721799 | Reaxys |
| Citations |
|---|