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BioLiP

PDB CCD ID: DN
Number of entries in BioLiP: 0
Chemical formula: C5 H11 O6 P
InChI: InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
InChIKey: BVOBPNSQIRMLCA-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(OCC1OCCC1O)(O)O
OpenEye OEToolkits 1.7.0C1CO[C@@H]([C@H]1O)COP(=O)(O)O
CACTVS 3.370O[C@H]1CCO[C@@H]1CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C1COC(C1O)COP(=O)(O)O
CACTVS 3.370O[CH]1CCO[CH]1CO[P](O)(O)=O
Name:UNKNOWN 2'-DEOXYNUCLEOTIDE
ZINC: ZINC000005848245
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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