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BioLiP Library

PDB CCD ID: C2S
Number of entries in BioLiP: 0
Chemical formula: C9 H14 N3 O5 P S2
InChI: InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1
InChIKey: YPTNEFVBJOMHCI-SHYZEUOFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(S)=S)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(S)=S)O2
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)S)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S
Name:CYTIDINE-5'-DITHIOPHOSPHORATE
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)(download the PDF file).
  • 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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