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BioLiP

PDB CCD ID: 4MM
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N O2 S
InChI: InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1
InChIKey: LIOVZIQCHLSVBO-ZETCQYMHSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385CSCC[CH](C(O)=O)[N+](C)(C)C
OpenEye OEToolkits 1.7.6C[N+](C)(C)C(CCSC)C(=O)O
CACTVS 3.385CSCC[C@@H](C(O)=O)[N+](C)(C)C
OpenEye OEToolkits 1.7.6C[N+](C)(C)[C@@H](CCSC)C(=O)O
ACDLabs 12.01CSCCC([N+](C)(C)C)C(=O)O
Name:N,N,N-trimethylmethionine;
(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
ZINC: ZINC000058638577
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)(download the PDF file).
  • 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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