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BioLiP

PDB CCD ID: XPS
Number of entries in BioLiP: 0
Chemical formula: C7 H17 N O5
InChI: InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKey: MBBZMMPHUWSWHV-JRTVQGFMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
ACDLabs 12.01C(C(O)CO)(C(C(O)CNC)O)O
OpenEye OEToolkits 2.0.7CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O
CACTVS 3.385CNC[CH](O)[CH](O)[CH](O)[CH](O)CO
OpenEye OEToolkits 2.0.7CNCC(C(C(C(CO)O)O)O)O
Name:6-deoxy-6-(methylamino)-D-galactitol
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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