SEQ2FUN

BioLiP

PDB CCD ID: C46
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N3 O8 P
InChI: InChI=1S/C11H16N3O8P/c15-7-3-9(22-8(7)5-21-23(17,18)19)14-4-6-1-2-20-13-10(6)12-11(14)16/h4,7-9,15H,1-3,5H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
InChIKey: XJTHSWZLLXTCDX-DJLDLDEBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C3CCONC3=NC2=O
ACDLabs 10.04O=P(O)(O)OCC3OC(N1C=C2C(=NC1=O)NOCC2)CC3O
OpenEye OEToolkits 1.5.0C1CONC2=NC(=O)N(C=C21)C3CC(C(O3)COP(=O)(O)O)O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3CCONC3=NC2=O
OpenEye OEToolkits 1.5.0C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
Name:6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2]OXAZIN-7-0NE(CYTIDINE)-5'-MONOPHOSPHATE
ZINC: ZINC000058638385
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).