BioLiP

PDB

BioLiP

PDB CCD ID:

TMR

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	CS[C@@H]1[C@@H](C)O[C@@H](O)C[C@@H]1O
ACDLabs 10.04	S(C1C(OC(O)CC1O)C)C
OpenEye OEToolkits 1.5.0	CC1C(C(CC(O1)O)O)SC
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC
CACTVS 3.341	CS[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, Lydia 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).