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BioLiP

PDB CCD ID: ERL
Number of entries in BioLiP: 0
Chemical formula: C6 H15 N O4 S
InChI: InChI=1S/C6H15NO4S/c1-2-3-4-5(7)6(8)12(9,10)11/h5-6,8H,2-4,7H2,1H3,(H,9,10,11)/t5-,6-/m0/s1
InChIKey: VTAATEODKMXWSG-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(C(O)S(=O)(=O)O)N
CACTVS 3.385CCCC[C@H](N)[C@@H](O)[S](O)(=O)=O
CACTVS 3.385CCCC[CH](N)[CH](O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7CCCC[C@@H]([C@H](O)S(=O)(=O)O)N
Name:(1S,2S)-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid;
(2R)-2-acetamido-3-sulfanyl-propanoic acid
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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