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BioLiP

PDB CCD ID: IMC
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N3 O7 P
InChI: InChI=1S/C10H16N3O7P/c1-5-3-13(10(11)12-9(5)15)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey: LBQNUQWNLDITAW-XLPZGREQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=NC1=O)N
OpenEye OEToolkits 1.5.0CC1=CN(C(=NC1=O)N)C2CC(C(O2)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C(N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=NC1=O)N
Name:N1-[2-DEOXY-RIBOFURANOSYL]-[2-AMINO-5-METHYL-4-OXO-4H-PYRIMIDINE]-5'-MONOPHOSPHATE
ZINC: ZINC000033821371
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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