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BioLiP

PDB CCD ID: 2DF
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N O7 P
InChI: InChI=1S/C6H12NO7P/c8-3-7-6-1-4(9)5(14-6)2-13-15(10,11)12/h3-6,9H,1-2H2,(H,7,8)(H2,10,11,12)/t4-,5+,6+/m0/s1
InChIKey: CLIXLSFJUCMEGR-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C1C(C(OC1NC=O)COP(=O)(O)O)O
ACDLabs 10.04O=CNC1OC(C(O)C1)COP(=O)(O)O
CACTVS 3.341O[CH]1C[CH](NC=O)O[CH]1CO[P](O)(O)=O
CACTVS 3.341O[C@H]1C[C@H](NC=O)O[C@@H]1CO[P](O)(O)=O
Name:N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANOSYL-5-PHOSPHATE) FORMAMIDE
ZINC: ZINC000058631748
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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