EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:29002 - (S)-propane-1,2-diol
| Formula | C3H8O2 |
| Net Charge | 0 |
| Average Mass | 76.095 |
| Monoisotopic Mass | 76.05243 |
| SMILES | C[C@H](O)CO |
| InChI | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 |
| InChIKey | DNIAPMSPPWPWGF-VKHMYHEASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Chemical Role: | protic solvent A polar solvent that is capable of acting as a hydron (proton) donor. |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| Application: | protic solvent A polar solvent that is capable of acting as a hydron (proton) donor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-propane-1,2-diol (CHEBI:29002) has role Escherichia coli metabolite (CHEBI:76971) |
| (S)-propane-1,2-diol (CHEBI:29002) has role human metabolite (CHEBI:77746) |
| (S)-propane-1,2-diol (CHEBI:29002) is a propane-1,2-diol (CHEBI:16997) |
| (S)-propane-1,2-diol (CHEBI:29002) is enantiomer of (R)-propane-1,2-diol (CHEBI:28972) |
| Incoming Relation(s) |
| dapagliflozin propanediol monohydrate (CHEBI:85079) has part (S)-propane-1,2-diol (CHEBI:29002) |
| (R)-propane-1,2-diol (CHEBI:28972) is enantiomer of (S)-propane-1,2-diol (CHEBI:29002) |
| IUPAC Name |
|---|
| (2S)-propane-1,2-diol |
| Synonyms | Source |
|---|---|
| (S)-Propane-1,2-diol | KEGG COMPOUND |
| (S)-1,2-Propanediol | KEGG COMPOUND |
| (S)-Propylene glycol | KEGG COMPOUND |
| (S)-propane-1,2-diol | ChEBI |
| UniProt Name | Source |
|---|---|
| (S)-propane-1,2-diol | UniProt |