|
PDBeChem : Molecule Descriptors
Molecule : G1P
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
HXXFSFRBOHSIMQ-VFUOTHLCSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=P(O)(OC1OC(C(O)C(O)C1O)CO)O |
4 |
SMILES
|
CACTVS |
3.370 |
OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O |
|