BioLiP

PDB

BioLiP

PDB CCD ID:

1X4

Number of entries in BioLiP:

Chemical formula:

C5 H11 O6 P

InChI:

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

InChIKey:

DOJAXCJBQVATEM-WHFBIAKZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1CC[CH](CO[P](O)(O)=O)O1
CACTVS 3.385	O[C@@H]1CC[C@@H](CO[P](O)(O)=O)O1
OpenEye OEToolkits 1.7.6	C1CC(OC1COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6	C1C[C@H](O[C@@H]1COP(=O)(O)O)O
ACDLabs 12.01	O=P(OCC1OC(O)CC1)(O)O

Name:

2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose;
2,3-dideoxyribose-5-phosphate;
2,3-dideoxy-5-O-phosphono-alpha-D-ribose;
2,3-dideoxy-5-O-phosphono-D-ribose;
2,3-dideoxy-5-O-phosphono-ribose

ZINC:

ZINC000098208046

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).