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BioLiP

PDB CCD ID: TMX
Number of entries in BioLiP: 2
Chemical formula: C9 H20 N O5
InChI: InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1
InChIKey: SYZAECJPHGGBMC-JGKVKWKGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[N+](C)(C)C1C(C(C(OC1O)CO)O)O
OpenEye OEToolkits 1.7.0C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
ACDLabs 12.01OC1OC(C(O)C(O)C1[N+](C)(C)C)CO
CACTVS 3.370C[N+](C)(C)[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
CACTVS 3.370C[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Name:2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose;
2-deoxy-2-(trimethylammonio)-beta-D-glucose;
2-deoxy-2-(trimethylammonio)-D-glucose;
2-deoxy-2-(trimethylammonio)-glucose
ZINC: ZINC000035495801
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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