SEQ2FUN

BioLiP

PDB CCD ID: 11A
Number of entries in BioLiP: 6
Chemical formula: C11 H22 O2
InChI: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey: ZDPHROOEEOARMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCC
Name:UNDECANOIC ACID
ChEMBL: CHEMBL108030
DrugBank: DB16857
ZINC: ZINC000001586297
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).