SEQ2FUN

BioLiP

PDB CCD ID: N5M
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N4 O10 P
InChI: InChI=1S/C9H13N4O10P/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(23-8)2-22-24(19,20)21/h1,4-6,8,14-15H,2H2,(H2,10,11,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1
InChIKey: QPCLJXMRTPOKPG-UAKXSSHOSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
CACTVS 3.341NC1=NC(=O)N(C=C1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]
OpenEye OEToolkits 1.5.0C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]
CACTVS 3.341NC1=NC(=O)N(C=C1[N+]([O-])=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Name:5-nitrocytidine 5'-(dihydrogen phosphate)
ZINC: ZINC000058650618
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).