BioLiP

PDB

BioLiP

PDB CCD ID:

6F7

Number of entries in BioLiP:

Chemical formula:

C10 H15 N2 O8 P

InChI:

InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-8(5)14)9-7(13)2-6(20-9)4-19-21(16,17)18/h3,6-7,9,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1

InChIKey:

NZONAJJJGMXZKE-LKEWCRSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=CN([CH]2O[CH](CO[P](O)(O)=O)C[CH]2O)C(=O)NC1=O
CACTVS 3.385	CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)C[C@H]2O)C(=O)NC1=O
OpenEye OEToolkits 2.0.4	CC1=CN(C(=O)NC1=O)C2C(CC(O2)COP(=O)(O)O)O
OpenEye OEToolkits 2.0.4	CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O
ACDLabs 12.01	N2(C1C(CC(O1)COP(O)(O)=O)O)C(=O)NC(C(=C2)C)=O

Name:

3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)

ZINC:

ZINC000013540762

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).