SEQ2FUN

BioLiP

PDB CCD ID: 7XA
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c8-6-4-2-1-3-5-7(10)9-11/h11H,1-6,8H2,(H,9,10)
InChIKey: ZNRIHNWROBMJQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01ONC(CCCCCCN)=O
OpenEye OEToolkits 1.9.2C(CCCN)CCC(=O)NO
CACTVS 3.385NCCCCCCC(=O)NO
Name:7-amino-N-hydroxyheptanamide
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).