SEQ2FUN

BioLiP

PDB CCD ID: RF8
Number of entries in BioLiP: 1
Chemical formula: C16 H30 O4
InChI: InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey: QQHJDPROMQRDLA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCCCCCCC(=O)O)CCCCCCC(=O)O
CACTVS 3.385OC(=O)CCCCCCCCCCCCCCC(O)=O
Name:hexadecanedioic acid
ChEMBL: CHEMBL4519590
ZINC: ZINC000003861298
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).