BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C5 H11 O6 P

InChI:

InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1

InChIKey:

BVOBPNSQIRMLCA-CRCLSJGQSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(OCC1OCCC1O)(O)O
OpenEye OEToolkits 1.7.0	C1CO[C@@H]([C@H]1O)COP(=O)(O)O
CACTVS 3.370	O[C@H]1CCO[C@@H]1CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0	C1COC(C1O)COP(=O)(O)O
CACTVS 3.370	O[CH]1CCO[CH]1CO[P](O)(O)=O

Name:

UNKNOWN 2'-DEOXYNUCLEOTIDE

ZINC:

ZINC000005848245

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).