SEQ2FUN

BioLiP

PDB CCD ID: OP3
Number of entries in BioLiP: 12
Chemical formula: C8 H14 O4
InChI: InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey: YOLQOHRXBGFZED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)CCCCCC(=O)O
CACTVS 3.385COC(=O)CCCCCC(O)=O
Name:7-methoxy-7-oxidanylidene-heptanoic 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).