SEQ2FUN

BioLiP

PDB CCD ID: MDX
Number of entries in BioLiP: 2
Chemical formula: C11 H22 O2 S
InChI: InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
InChIKey: GWOLZNVIRIHJHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCCCCCCCS
ACDLabs 10.04O=C(O)CCCCCCCCCCS
OpenEye OEToolkits 1.5.0C(CCCCCS)CCCCC(=O)O
Name:11-MERCAPTOUNDECANOIC ACID
DrugBank: DB08171
ZINC: ZINC000002164257
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).