SEQ2FUN

BioLiP

PDB CCD ID: JRY
Number of entries in BioLiP: 3
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-2-3-4-5-6-8-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKey: YAQPZDICKJDHTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCNC(O)=O
ACDLabs 12.01C(=O)(NCCCCCC)O
OpenEye OEToolkits 2.0.6CCCCCCNC(=O)O
Name:hexylcarbamic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).