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BioLiP

PDB CCD ID: OMT
Number of entries in BioLiP: 8
Chemical formula: C5 H11 N O4 S
InChI: InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey: UCUNFLYVYCGDHP-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[S](=O)(=O)CC[CH](N)C(O)=O
ACDLabs 10.04O=S(=O)(C)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CS(=O)(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CS(=O)(=O)CC[C@@H](C(=O)O)N
CACTVS 3.341C[S](=O)(=O)CC[C@H](N)C(O)=O
Name:S-DIOXYMETHIONINE
ChEMBL: CHEMBL442720
DrugBank: DB03790
ZINC: ZINC000001691392
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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