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BioLiP

PDB CCD ID: XB9
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N2 O7 P
InChI: InChI=1S/C6H13N2O7P/c7-6(10)8-5-1-3(9)4(15-5)2-14-16(11,12)13/h3-5,9H,1-2H2,(H3,7,8,10)(H2,11,12,13)/t3-,4+,5+/m0/s1
InChIKey: HSXUVWHNWPQKRN-VPENINKCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(C(OC1NC(=O)N)COP(=O)(O)O)O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H](O[C@H]1NC(=O)N)COP(=O)(O)O)O
CACTVS 3.385NC(=O)N[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1
CACTVS 3.385NC(=O)N[C@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)O1
ACDLabs 12.01OC1CC(NC(=O)N)OC1COP(=O)(O)O
Name:N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
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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