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BioLiP

PDB CCD ID: 5OC
Number of entries in BioLiP: 0
Chemical formula: C9 H14 N3 O8 P
InChI: InChI=1S/C9H14N3O8P/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(20-7)3-19-21(16,17)18/h2,4,6-7,13-14H,1,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1
InChIKey: IHMAXICTBCXOER-UBKIQSJTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(O)=C1)CC2O
OpenEye OEToolkits 1.7.2C1C(C(OC1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O
CACTVS 3.370NC1=NC(=O)N(C=C1O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
CACTVS 3.370NC1=NC(=O)N(C=C1O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
Name:2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
ZINC: ZINC000098208523
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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