Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : RSF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m0/s1
2 InChIKey InChI 1.03 RCDXYCHYMULCDZ-HCWXCVPCSA-N
3 SMILES ACDLabs 10.04 OC1COC2OCCC12
4 SMILES CACTVS 3.341 O[CH]1CO[CH]2OCC[CH]12
5 SMILES OpenEye OEToolkits 1.5.0 C1COC2C1C(CO2)O
6 Canonical SMILES CACTVS 3.341 O[C@H]1CO[C@H]2OCC[C@@H]12
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1CO[C@H]2C1[C@H](CO2)O