SEQ2FUN

BioLiP

PDB CCD ID: STE
Number of entries in BioLiP: 16
Chemical formula: C18 H36 O2
InChI: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)O
Name:STEARIC ACID
ChEMBL: CHEMBL46403
DrugBank: DB03193
ZINC: ZINC000004978673
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).