SEQ2FUN

BioLiP

PDB CCD ID: EET
Number of entries in BioLiP: 4
Chemical formula: C20 H34 O4
InChI: InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-/t18-,19-/m1/s1
InChIKey: SYAWGTIVOGUZMM-JHIAIUNDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O
OpenEye OEToolkits 2.0.5CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O
CACTVS 3.385CCCCC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O
CACTVS 3.385CCCCC[C@@H](O)[C@H](O)C\C=C/C/C=C\C\C=C/CCCC(O)=O
Name:(5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
ZINC: ZINC000004655425
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).