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BioLiP

PDB CCD ID: VA
Number of entries in BioLiP: 2
Chemical formula: C20 H38 O2
InChI: InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-
InChIKey: QSZKEDWVAOAFQY-HJWRWDBZSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OCCCCCCCCCC\C=C/CCCCCC)C
OpenEye OEToolkits 1.5.0CCCCCC\C=C/CCCCCCCCCCOC(=O)C
CACTVS 3.341CCCCCCC=CCCCCCCCCCCOC(C)=O
OpenEye OEToolkits 1.5.0CCCCCCC=CCCCCCCCCCCOC(=O)C
CACTVS 3.341CCCCCC\C=C/CCCCCCCCCCOC(C)=O
Name:(Z)-OCTADEC-11-ENYL ACETATE
ZINC: ZINC000059696286
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).
  • 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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