SEQ2FUN

BioLiP

PDB CCD ID: 011
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
InChIKey: XDOLZJYETYVRKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CCCN)CCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCN
CACTVS 3.370NCCCCCCC(O)=O
Name:7-aminoheptanoic acid
ChEMBL: CHEMBL1229507
ZINC: ZINC000001689480
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).