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BioLiP

PDB CCD ID: 5HC
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N3 O8 P
InChI: InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey: BTIWPBKNTZFNRI-XLPZGREQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)N(C=C1CO)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.370NC1=NC(=O)N(C=C1CO)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.7.6C1C(C(OC1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(=C1)CO)CC2O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O
Name:2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
ZINC: ZINC000004096272
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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