EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H12O5 |
| Net Charge | 0 |
| Average Mass | 176.168 |
| Monoisotopic Mass | 176.06847 |
| SMILES | O=C(O)CCCC[C@H](O)C(=O)O |
| InChI | InChI=1S/C7H12O5/c8-5(7(11)12)3-1-2-4-6(9)10/h5,8H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | LYFNCKPMTCSLBV-YFKPBYRVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phycomyces blakesleeanus (ncbitaxon:4837) | - | DOI (10.1016/0031-9422(96)00146-x) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Hydroxyheptanedioic acid (CHEBI:202128) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 2-hydroxyheptanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| 11573558 | ChemSpider |