SEQ2FUN

BioLiP

PDB CCD ID: 02U
Number of entries in BioLiP: 0
Chemical formula: C17 H32 O2
InChI: InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)
InChIKey: JSOOUDKFWVPPEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCC/C=C/CCCC(C)CC
CACTVS 3.370CCC(C)CCCC=CCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.2CCC(C)CCCC=CCCCCCCCC(=O)O
Name:14-methylhexadec-9-enoic acid
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).