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BioLiP

PDB CCD ID: 16B
Number of entries in BioLiP: 5
Chemical formula: C9 H14 N3 O9 P
InChI: InChI=1S/C9H14N3O9P/c13-6-4(3-20-22(17,18)19)21-8(7(6)14)12-2-1-5(11-16)10-9(12)15/h1-2,4,6-8,13-14,16H,3H2,(H,10,11,15)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1
InChIKey: DYOUVDKCXLKHKY-XVFCMESISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)N=C1NO)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.385ONC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OCC1OC(N2C=CC(=NC2=O)NO)C(O)C1O
Name:N-hydroxycytidine 5'-(dihydrogen phosphate)
ChEMBL: CHEMBL2221214
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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