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BioLiP

PDB CCD ID: TMR
Number of entries in BioLiP: 0
Chemical formula: C7 H14 O3 S
InChI: InChI=1S/C7H14O3S/c1-4-7(11-2)5(8)3-6(9)10-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
InChIKey: PUECVJLJBFVUMI-XZBKPIIZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CS[C@@H]1[C@@H](C)O[C@@H](O)C[C@@H]1O
ACDLabs 10.04S(C1C(OC(O)CC1O)C)C
OpenEye OEToolkits 1.5.0CC1C(C(CC(O1)O)O)SC
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC
CACTVS 3.341CS[CH]1[CH](C)O[CH](O)C[CH]1O
Name:2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose;
2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE;
2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexose;
2,6-dideoxy-4-S-methyl-4-thio-D-ribo-hexose;
2,6-dideoxy-4-S-methyl-4-thio-ribo-hexose
ZINC: ZINC000006490940
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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