DE2
Summary
Name: | 1-deoxy-L-erythrulose |
Formula: | C4 H8 O3 |
Formal charge: | 0 |
Formula weight: | 104.105 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3S)-3,4-dihydroxybutan-2-one |
OpenEye OEToolkits | 1.7.6 | (3S)-3,4-bis(oxidanyl)butan-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)C(O)CO |
InChI | InChI | 1.03 | InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3/t4-/m0/s1 |
InChIKey | InChI | 1.03 | SEYLPRWNVFCVRQ-BYPYZUCNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@@H](O)CO |
SMILES | CACTVS | 3.385 | CC(=O)[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)[C@H](CO)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)C(CO)O |