SEQ2FUN

BioLiP

PDB CCD ID: OCE
Number of entries in BioLiP: 0
Chemical formula: C8 H14 O4
InChI: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey: TYFQFVWCELRYAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCCC(=O)O
OpenEye OEToolkits 1.7.0C(CCCC(=O)O)CCC(=O)O
Name:octanedioic acid
ChEMBL: CHEMBL1162491
ZINC: ZINC000001531046
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).