BioLiP

PDB

BioLiP

PDB CCD ID:

DV3

Number of entries in BioLiP:

Chemical formula:

C5 H11 O5 P S

InChI:

InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1

InChIKey:

PPLIRDZWRNAVLB-CRCLSJGQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1CCO[CH]1CO[P](O)(S)=O
CACTVS 3.385	O[C@H]1CCO[C@@H]1CO[P](O)(S)=O
OpenEye OEToolkits 2.0.6	C1CO[C@@H]([C@H]1O)COP(=O)(O)S
ACDLabs 12.01	O(P(S)(O)=O)CC1OCCC1O
OpenEye OEToolkits 2.0.6	C1COC(C1O)COP(=O)(O)S

Name:

1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol

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).