SEQ2FUN

BioLiP

PDB CCD ID: DKA
Number of entries in BioLiP: 6
Chemical formula: C10 H20 O2
InChI: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.0CCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCC
Name:DECANOIC ACID
ChEMBL: CHEMBL107498
DrugBank: DB03600
ZINC: ZINC000001529229
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).