A1LXB
Summary
Name: | L-2,4-diketo-3-deoxyfuconate |
Synonyms: | (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid |
Formula: | C6 H8 O5 |
Formal charge: | 0 |
Formula weight: | 160.125 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C6H8O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3,10H,2H2,1H3,(H,8,9)/t3-,6-/m0/s1 |
InChIKey | InChI | 1.06 | RVGZVGXMALCWOM-DZSWIPIPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@@](O)(CC1=O)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH]1O[C](O)(CC1=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C(=O)C[C@](O1)(C(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)CC(O1)(C(=O)O)O |