SEQ2FUN

BioLiP

PDB CCD ID: LIM
Number of entries in BioLiP: 4
Chemical formula: C15 H28 O3
InChI: InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h2-13H2,1H3,(H,17,18)
InChIKey: CJTNJZWHYGHVCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCCCCCCCC)CC(=O)O
CACTVS 3.341CCCCCCCCCCCCC(=O)CC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC(=O)CC(=O)O
Name:3-OXO-PENTADECANOIC ACID
DrugBank: DB04039
ZINC: ZINC000014881012
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).