SEQ2FUN

BioLiP

PDB CCD ID: 12H
Number of entries in BioLiP: 6
Chemical formula: C12 H24 O3
InChI: InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey: ZDHCZVWCTKTBRY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCCCCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCCCCO
OpenEye OEToolkits 1.5.0C(CCCCCC(=O)O)CCCCCO
Name:12-HYDROXYDODECANOIC ACID
ChEMBL: CHEMBL55068
DrugBank: DB03704
ZINC: ZINC000001531061
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).