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BioLiP

PDB CCD ID: TLY
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N2 O2 S
InChI: InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChIKey: SLVMGVMSUOULGW-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=S)NCCCCC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCCCNC(=S)C
OpenEye OEToolkits 1.7.0CC(=S)NCCCC[C@@H](C(=O)O)N
CACTVS 3.370CC(=S)NCCCC[CH](N)C(O)=O
CACTVS 3.370CC(=S)NCCCC[C@H](N)C(O)=O
Name:(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid;
6-N-thiolacetyl-L-lysine
ZINC: ZINC000098209453
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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