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PDBeChem : Molecule Descriptors
Molecule : LXP
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
VJDOAZKNBQCAGE-WISUUJSJSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=P(O)(O)OCC(O)C(O)C(O)CO |
4 |
SMILES
|
CACTVS |
3.341 |
OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(C(COP(=O)(O)O)O)O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@@H](O)[C@H](O)[C@@H](O)CO[P](O)(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O |
|