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BioLiP

PDB CCD ID: BOW
Number of entries in BioLiP: 1
Chemical formula: C8 H19 N O3 S
InChI: InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
InChIKey: ZXWAFSSPWCHAJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCCCCCCCO[S](N)(=O)=O
OpenEye OEToolkits 1.7.0CCCCCCCCOS(=O)(=O)N
ACDLabs 11.02O=S(=O)(OCCCCCCCC)N
Name:octyl sulfamate;
n-Octyl sulfamate
ChEMBL: CHEMBL24261
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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