BioLiP

PDB

BioLiP

PDB CCD ID:

ASU

Number of entries in BioLiP:

Chemical formula:

C5 H11 O6 P S

InChI:

InChI=1S/C5H11O6PS/c6-3-1-5(7)13-4(3)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1

InChIKey:

LISKFBQBDFDUEX-LMVFSUKVSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(OCC1SC(O)CC1O)(O)O
OpenEye OEToolkits 1.5.0	C1C(C(SC1O)COP(=O)(O)O)O
CACTVS 3.341	O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)S1
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O
CACTVS 3.341	O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)S1

Name:

4'-THIO-2'4'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE

ZINC:

ZINC000006361534

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).