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BioLiP

PDB CCD ID: 5NC
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N4 O7 P
InChI: InChI=1S/C8H13N4O7P/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(19-6)2-18-20(15,16)17/h3-6,13H,1-2H2,(H2,9,11,14)(H2,15,16,17)/t4-,5+,6+/m0/s1
InChIKey: JQHZISUSXMJEPR-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1N=C(N=CN1C2OC(C(O)C2)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=NC(=NC2=O)N)COP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=N1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
Name:5-AZA-CYTIDINE-5'MONOPHOSPHATE
ZINC: ZINC000031413948
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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