SEQ2FUN

BioLiP

PDB CCD ID: CBF
Number of entries in BioLiP: 1
Chemical formula: C7 H13 N O7
InChI: InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1
InChIKey: DTZYCNDAJQDPQC-UHKLXPPTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352NC(=O)[C]1(O)O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O
ACDLabs 11.02O=C(N)C1(O)OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)(C(=O)N)O)O)O)O)O
CACTVS 3.352NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Name:(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide;
C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDE
DrugBank: DB02719
ZINC: ZINC000005830039
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).