SEQ2FUN

BioLiP

PDB CCD ID: B7J
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N3 O14 P3
InChI: InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey: UIFNWSMURHAIJK-XLPZGREQSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O
OpenEye OEToolkits 2.0.6C1C(C(OC1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 2.0.6C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.385NC1=NC(=O)N(C=C1C=O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
CACTVS 3.385NC1=NC(=O)N(C=C1C=O)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
Name:2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate);
5-FodCTP
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).