SEQ2FUN

BioLiP

PDB CCD ID: DEC
Number of entries in BioLiP: 1
Chemical formula: C10 H18 O4
InChI: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey: CXMXRPHRNRROMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0C(CCCCC(=O)O)CCCC(=O)O
CACTVS 3.341OC(=O)CCCCCCCCC(O)=O
Name:SEBACIC ACID
ChEMBL: CHEMBL1232164
DrugBank: DB07645
ZINC: ZINC000001531045
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).