SEQ2FUN

BioLiP

PDB CCD ID: JKM
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N2 O8 P
InChI: InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7+,8+/m1/s1
InChIKey: HWDMHJDYMFRXOX-GVYWOMJSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[CH]1O[CH]([CH]2O[P](O)(=O)O[CH]12)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O
CACTVS 3.370OC[C@H]1O[C@@H]([C@H]2O[P](O)(=O)O[C@H]12)N3C=CC(=O)NC3=O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C3OP(=O)(O)OC23)CO
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)OP(=O)(O3)O
Name:1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1H,3H)-dione;
Uridine 2',3'-cyclophosphate
ZINC: ZINC000098209050
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).