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BioLiP

PDB CCD ID: DSR
Number of entries in BioLiP: 0
Chemical formula: C6 H12 O3 S
InChI: InChI=1S/C6H12O3S/c1-3-6(10)4(7)2-5(8)9-3/h3-8,10H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey: PYIPBDQDMFBTIQ-JGWLITMVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(CC(O1)O)O)S
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S
CACTVS 3.341C[CH]1O[CH](O)C[CH](O)[CH]1S
CACTVS 3.341C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1S
ACDLabs 10.04SC1C(OC(O)CC1O)C
Name:2,6-dideoxy-4-thio-beta-D-allopyranose;
2,6-dideoxy-4-thio-beta-D-allose;
2,6-dideoxy-4-thio-D-allose;
2,6-dideoxy-4-thio-allose
ZINC: ZINC000005888595
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)(download the PDF file).
  • 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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