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BioLiP

PDB CCD ID: UZS
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N O2 S
InChI: InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)
InChIKey: XKCHGAJRKPXTNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCCS)CCC(=O)NO
CACTVS 3.385ONC(=O)CCCCCCS
ACDLabs 12.01ONC(CCCCCCS)=O
Name:N-hydroxy-7-sulfanylheptanamide
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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