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BioLiP

PDB CCD ID: 1W5
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N3 O9 P
InChI: InChI=1S/C10H14N3O9P/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(22-7)3-21-23(18,19)20/h1,6-8,14H,2-3H2,(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey: IUUXEDXPTYNSEU-XLPZGREQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c(c(nc(c1[N+](=O)[O-])N)O)C2CC(C(O2)COP(=O)(O)O)O
CACTVS 3.385Nc1nc(O)c(cc1[N+]([O-])=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
ACDLabs 12.01[N+]([O-])(c1c(nc(c(c1)C2OC(C(C2)O)COP(O)(O)=O)O)N)=O
OpenEye OEToolkits 2.0.4c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.385Nc1nc(O)c(cc1[N+]([O-])=O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
Name:(1R)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
ZINC: ZINC000263620573
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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