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BioLiP

PDB CCD ID: TMO
Number of entries in BioLiP: 100
Chemical formula: C3 H9 N O
InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C[N+](C)(C)[O-]
ACDLabs 12.01[O-][N+](C)(C)C
Name:trimethylamine oxide
ZINC: ZINC000000895494
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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