Content deleted Content added
Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChemSpiderID InChI InChIKey SMILES1. |
Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: StdInChI StdInChIKey. |
||
| Line 14: | Line 14: | ||
| InChIKey = FGSBNBBHOZHUBO-UHFFFAOYAU |
| InChIKey = FGSBNBBHOZHUBO-UHFFFAOYAU |
||
| SMILES1 = O=C(C(=O)O)CCCC(=O)O |
| SMILES1 = O=C(C(=O)O)CCCC(=O)O |
||
| StdInChI = 1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) |
|||
| StdInChIKey = FGSBNBBHOZHUBO-UHFFFAOYSA-N |
|||
| CASNo=3184-35-8 |
| CASNo=3184-35-8 |
||
| PubChem=71 |
| PubChem=71 |
||
Revision as of 10:52, 29 November 2010
| |
| |
| Names | |
|---|---|
| IUPAC name
2-oxohexanedioic acid
| |
| Other names
α-Ketoadipate; 2-oxoadipate
| |
| Identifiers | |
3D model (JSmol)
|
|
| ChemSpider | |
| ECHA InfoCard | 100.164.320 |
| MeSH | alpha-ketoadipic+acid |
PubChem CID
|
|
CompTox Dashboard (EPA)
|
|
| |
| |
| Properties | |
| C6H8O5 | |
| Molar mass | 160.12472 |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
| |
α-Ketoadipic acid (or 2-oxoadipate) is an intermediate in the metabolism of lysine.
See also
References