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BioLiP

PDB CCD ID: 4M5
Number of entries in BioLiP: 4
Chemical formula: C22 H32 O3
InChI: InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-15H,2,4,9-10,16-20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-
InChIKey: XXHHYIQPKMKZSU-BBBWWSJWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
OpenEye OEToolkits 2.0.4CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(=O)O
CACTVS 3.385CC\C=C/CC(=O)CC\C=C/C/C=C\C\C=C/C\C=C/CCC(O)=O
CACTVS 3.385CCC=CCC(=O)CCC=CCC=CCC=CCC=CCCC(O)=O
Name:(4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
ZINC: ZINC000034774048
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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