SEQ2FUN

BioLiP

PDB CCD ID: 16Y
Number of entries in BioLiP: 2
Chemical formula: C16 H32 O3
InChI: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
InChIKey: UGAGPNKCDRTDHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCCCCCCCCCO
OpenEye OEToolkits 1.7.6C(CCCCCCCC(=O)O)CCCCCCCO
CACTVS 3.370OCCCCCCCCCCCCCCCC(O)=O
Name:16-hydroxyhexadecanoic acid
ChEMBL: CHEMBL4281719
ZINC: ZINC000003861297
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).