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BioLiP

PDB CCD ID: 2MM
Number of entries in BioLiP: 14
Chemical formula: C7 H15 N O2 S
InChI: InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKey: FLEXUHXAXRFRAU-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CSCC[C@H](N(C)C)C(O)=O
CACTVS 3.341CSCC[CH](N(C)C)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)[C@@H](CCSC)C(=O)O
ACDLabs 10.04O=C(O)C(N(C)C)CCSC
OpenEye OEToolkits 1.5.0CN(C)C(CCSC)C(=O)O
Name:N,N-dimethyl-L-methionine
ChEMBL: CHEMBL1229963
ZINC: ZINC000001677421
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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