BG6
Summary
Name: | 6-O-phosphono-beta-D-glucopyranose |
Synonyms: | BETA-D-GLUCOSE-6-PHOSPHATE 6-O-phosphono-beta-D-glucose; 6-O-phosphono-D-glucose; 6-O-phosphono-glucose |
Formula: | C6 H13 O9 P |
Formal charge: | 0 |
Formula weight: | 260.136 Da |
Component type: | D-saccharide, beta linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 6-O-phosphono-beta-D-glucopyranose |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate |
PDB-CARE | 1.0 | b-D-Glcp6PO3 |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 |
InChIKey | InChI | 1.03 | NBSCHQHZLSJFNQ-VFUOTHLCSA-N |