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BioLiP

PDB CCD ID: Z3U
Number of entries in BioLiP: 0
Chemical formula: C6 H12 O4
InChI: InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey: FDWRIIDFYSUTDP-JGWLITMVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC1C(OC(O)CC1O)C
CACTVS 3.370C[CH]1O[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O
CACTVS 3.370C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6CC1C(C(CC(O1)O)O)O
Name:beta-D-Digitoxopyranose;
beta-D-Digitoxose;
2,6-dideoxy-beta-D-ribo-hexopyranose;
2,6-dideoxy-beta-D-allopyranose;
2,6-dideoxy-beta-D-altropyranose;
D-Digitoxose;
Digitoxose
ZINC: ZINC000003860367
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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