SEQ2FUN

BioLiP

PDB CCD ID: HJX
Number of entries in BioLiP: 5
Chemical formula: C21 H34 O4
InChI: InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)
InChIKey: COUQHIRIFUVLDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O
CACTVS 3.370CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O
ACDLabs 12.01O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC
Name:2-hydroxy-6-(tetradecyloxy)benzoic acid;
BPH-981
ChEMBL: CHEMBL418973
ZINC: ZINC000014115416
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).