GTR
Summary
Name: | beta-D-galactopyranuronic acid |
Synonyms: | beta-D-galacturonic acid D-galacturonic acid; galacturonic acid |
Formula: | C6 H10 O7 |
Formal charge: | 0 |
Formula weight: | 194.139 Da |
Component type: | D-saccharide, beta linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | beta-D-galactopyranuronic acid |
OpenEye OEToolkits | 1.7.6 | (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid |
GMML | 1.0 | DGalpAb |
GMML | 1.0 | b-D-galactopyranuronic acid |
PDB-CARE | 1.0 | b-D-GalpA |
GMML | 1.0 | GalA |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(C(C(C(C(=O)O)O1)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1 |
InChIKey | InChI | 1.03 | AEMOLEFTQBMNLQ-DTEWXJGMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O |
SMILES | CACTVS | 3.385 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1(C(C(OC(C1O)O)C(=O)O)O)O |