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BioLiP

PDB CCD ID: OSM
Number of entries in BioLiP: 49
Chemical formula: C H5 N O S
InChI: InChI=1S/CH5NOS/c2-1-4-3/h4H,1-2H2
InChIKey: KONFWJXIYYGXOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(N)S=O
CACTVS 3.341NC[S@H]=O
OpenEye OEToolkits 1.5.0C(N)[S@@H]=O
ACDLabs 10.04O=SCN
CACTVS 3.341NC[SH]=O
Name:1-(OXIDOSULFANYL)METHANAMINE
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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