Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ORP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
2 InChIKey InChI 1.03 KKZFLSZAWCYPOC-LMVFSUKVSA-N
3 SMILES ACDLabs 10.04 O=P(OCC1OC(O)CC1O)(O)O
4 SMILES CACTVS 3.341 O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1
5 SMILES OpenEye OEToolkits 1.5.0 C1C(C(OC1O)COP(=O)(O)O)O
6 Canonical SMILES CACTVS 3.341 O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)O1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O