BioLiP

PDB

BioLiP

PDB CCD ID:

HEU

Number of entries in BioLiP:

Chemical formula:

C11 H17 N2 O9 P

InChI:

InChI=1S/C11H17N2O9P/c14-4-3-12-9(16)1-2-13(11(12)17)10-5-7(15)8(22-10)6-21-23(18,19)20/h1-2,7-8,10,14-15H,3-6H2,(H2,18,19,20)/t7-,8+,10+/m0/s1

InChIKey:

GBGSUYUQSAGQFW-QXFUBDJGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O
CACTVS 3.341	OCCN1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C1=O
ACDLabs 10.04	O=C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)CCO
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O
CACTVS 3.341	OCCN1C(=O)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O

Name:

3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058650855

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).