SEQ2FUN

BioLiP

PDB CCD ID: LIK
Number of entries in BioLiP: 1
Chemical formula: C12 H20 O2
InChI: InChI=1S/C12H20O2/c1-4-5-6-10(2)7-8-11(3)9-12(13)14/h2-9H2,1H3,(H,13,14)
InChIKey: YOHXQMVSYCADHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC(=C)CCC(=C)CC(O)=O
ACDLabs 10.04O=C(O)CC(=C)\CC/C(=C)CCCC
OpenEye OEToolkits 1.5.0CCCCC(=C)CCC(=C)CC(=O)O
Name:3,6-BIS(METHYLENE)DECANOIC ACID
ZINC: ZINC000016052130
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).