Summary
Name: | 4,5-DEHYDRO-L-IDURONIC ACID |
Formula: | C6 H8 O7 |
Formal charge: | 0 |
Formula weight: | 192.124 Da |
Component type: | L-SACCHARIDE |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | alpha-L-threo-hex-4-enopyranuronic acid |
OpenEye OEToolkits | 1.5.0 | (4R,5R,6R)-3,4,5,6-tetrahydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C=1OC(O)C(O)C(O)C=1O |
InChI | InChI | 1.02b | InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6+/m0/s1/f/h10H |
InChIKey | InChI | 1.02b | BPCLKHIDDIVGBM-GAFHTIRDDP |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1OC(=C(O)[C@H](O)[C@H]1O)C(O)=O |
SMILES | CACTVS | 3.341 | O[CH]1OC(=C(O)[CH](O)[CH]1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C(=C(OC1O)C(=O)O)O)O)O |