BioLiP

PDB

BioLiP

PDB CCD ID:

5MD

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O5

InChI:

InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

InChIKey:

AMDJRICBYOAHBZ-XLPZGREQSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0	CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
OpenEye OEToolkits 1.5.0	CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O
CACTVS 3.341	CN1C=C([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
ACDLabs 10.04	O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C

Name:

2'-deoxy-1-methyl-pseudouridine;
5-METHYL-2'-DEOXYPSEUDOURIDINE

DrugBank:

DB03763

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).