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BioLiP

PDB CCD ID: RSG
Number of entries in BioLiP: 8
Chemical formula: C6 H10 O3
InChI: InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1
InChIKey: RCDXYCHYMULCDZ-PBXRRBTRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[CH]1CO[CH]2OCC[CH]12
OpenEye OEToolkits 1.7.2C1COC2C1C(CO2)O
CACTVS 3.370O[C@@H]1CO[C@@H]2OCC[C@H]12
OpenEye OEToolkits 1.7.2C1CO[C@@H]2[C@H]1[C@@H](CO2)O
ACDLabs 12.01OC1COC2OCCC12
Name:(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
ZINC: ZINC000022012705
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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