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BioLiP

PDB CCD ID: ZCY
Number of entries in BioLiP: 0
Chemical formula: C7 H12 N3 O6 P
InChI: InChI=1S/C7H12N3O6P/c8-6-1-2-10(7(12)9-6)3-5(11)4-16-17(13,14)15/h1-2,5,11H,3-4H2,(H2,8,9,12)(H2,13,14,15)/t5-/m0/s1
InChIKey: IQHBYFSDRWZBDG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N
CACTVS 3.341NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=C1
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)CC(COP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C1
Name:(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE
ZINC: ZINC000058649738
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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