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BioLiP

PDB CCD ID: UZY
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O2 S
InChI: InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8)
InChIKey: UVHGRHBRZBMHBD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCC(=O)NO)CCS
ACDLabs 12.01C(CCCCCS)(NO)=O
CACTVS 3.385ONC(=O)CCCCCS
Name:N-hydroxy-6-sulfanylhexanamide
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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