BioLiP

PDB

BioLiP

PDB CCD ID:

5HT

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O6

InChI:

InChI=1S/C10H16N2O6/c1-10(17)4-12(9(16)11-8(10)15)7-2-5(14)6(3-13)18-7/h5-7,13-14,17H,2-4H2,1H3,(H,11,15,16)/t5-,6+,7+,10+/m0/s1

InChIKey:

MRODUHNLAXSPFV-MPXCPUAZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04	O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)CO
CACTVS 3.341	C[C]1(O)CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0	CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)O
CACTVS 3.341	C[C@@]1(O)CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O

Name:

5-HYDROXY-THYMIDINE

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).