SEQ2FUN

BioLiP

PDB CCD ID: 6XA
Number of entries in BioLiP: 10
Chemical formula: C6 H14 N2 O2
InChI: InChI=1S/C6H14N2O2/c7-5-3-1-2-4-6(9)8-10/h10H,1-5,7H2,(H,8,9)
InChIKey: HAQVDFULTKFINY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCC(=O)NO)CCN
CACTVS 3.385NCCCCCC(=O)NO
ACDLabs 12.01C(N)CCCCC(NO)=O
Name:6-amino-N-hydroxyhexanamide
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).