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BioLiP

PDB CCD ID: CF5
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N4 O8 P
InChI: InChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1
InChIKey: LWLMFZVGOXTQAI-LODYRLCVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNCC2O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O
CACTVS 3.341O[CH]1CNC=Nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341O[C@@H]1CNC=Nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Name:COFORMYCIN 5'-PHOSPHATE
ChEMBL: CHEMBL1231747
ZINC: ZINC000033821249
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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