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BioLiP

PDB CCD ID: EJL
Number of entries in BioLiP: 3
Chemical formula: C24 H32 O3
InChI: InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey: LHUWCJHCWHNRNX-JLNKQSITSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O
OpenEye OEToolkits 2.0.7CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O
CACTVS 3.385CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC#CC(=O)CCCC(O)=O
OpenEye OEToolkits 2.0.7CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(=O)O
Name:(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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