SEQ2FUN

BioLiP

PDB CCD ID: SHU
Number of entries in BioLiP: 1
Chemical formula: C7 H10 O4
InChI: InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKey: WYEPBHZLDUPIOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)CC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0CC(=O)CC(=O)CCC(=O)O
ACDLabs 10.04O=C(CC(=O)C)CCC(=O)O
Name:4,6-DIOXOHEPTANOIC ACID;
SUCCINYLACETONE
ChEMBL: CHEMBL222824
ZINC: ZINC000100036983
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).