SEQ2FUN

BioLiP

PDB CCD ID: DSB
Number of entries in BioLiP: 7
Chemical formula: C10 H14 O6
InChI: InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)
InChIKey: DUAWJQCMZICMIK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(CCC(=O)CCC(=O)O)CCC(=O)O
CACTVS 3.341OC(=O)CCC(=O)CCC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O
Name:4,7-DIOXOSEBACIC ACID
DrugBank: DB04560
ZINC: ZINC000003870974
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).