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BioLiP

PDB CCD ID: OCR
Number of entries in BioLiP: 4
Chemical formula: C20 H30 O3
InChI: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
InChIKey: YGJTUEISKATQSM-KIFLIQHDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O
CACTVS 3.341CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O
ACDLabs 10.04O=C(\C=C\C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
CACTVS 3.341CCCCCC(=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O
Name:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid;
15-oxo-eicosatetraenoic acid
ZINC: ZINC000039031959
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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