BioLiP

PDB

BioLiP

PDB CCD ID:

ATD

Number of entries in BioLiP:

Chemical formula:

C10 H15 N2 O8 P

InChI:

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

InChIKey:

XXYIANZGUOSQHY-RNJXMRFFSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO)O2)C(=O)NC1=O
ACDLabs 10.04	O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO
OpenEye OEToolkits 1.5.0	CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)O
CACTVS 3.341	CC1=CN([C@@H]2C[C@H](O[P](O)(O)=O)[C@@H](CO)O2)C(=O)NC1=O

Name:

THYMIDINE-3'-PHOSPHATE

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).