BioLiP

PDB

BioLiP

PDB CCD ID:

TKW

Number of entries in BioLiP:

Chemical formula:

C9 H14 N3 O9 P

InChI:

InChI=1S/C9H14N3O9P/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-15H,2H2,(H2,10,11,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1

InChIKey:

QONOHPMEMVHOPP-UAKXSSHOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O
CACTVS 3.370	NC1=NC(=O)N(C=C1O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
CACTVS 3.370	NC1=NC(=O)N(C=C1O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.7.6	C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)O
ACDLabs 12.01	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(O)=C1)C(O)C2O

Name:

5-hydroxycytidine 5'-(dihydrogen phosphate)

ZINC:

ZINC000031490608

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).