Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ALX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)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 SIUIENVKPUKAHD-DVKNGEFBSA-N
3 SMILES ACDLabs 12.01 O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
4 SMILES CACTVS 3.385 OC[CH]1O[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.7.6 C(C1C(C(C(C(O1)O)OP(=O)(O)O)O)O)O
6 Canonical SMILES CACTVS 3.385 OC[C@H]1O[C@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O