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BioLiP

PDB CCD ID: 5FC
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N3 O8 P
InChI: InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey: HDFNXAHZEYLDBJ-XLPZGREQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1C=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=C1C=O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
ACDLabs 10.04O=CC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O
Name:5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE;
2'-DEOXY-5-FORMYLCYTIDINE-5'-MONOPHOSPHATE
DrugBank: DB04603
ZINC: ZINC000058632385
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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