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BioLiP

PDB CCD ID: 1EY
Number of entries in BioLiP: 1
Chemical formula: C16 H28 O
InChI: InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5-
InChIKey: ZTJGMVSDMQAJPE-OUPQRBNQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC/C=C\C=C/CCCCCCCCCC=O
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCC=CC=CCCCCCCCCCC=O
CACTVS 3.370CC\C=C/C=C\CCCCCCCCCC=O
ACDLabs 12.01O=CCCCCCCCCC/C=C\C=C/CC
Name:(11Z,13Z)-hexadeca-11,13-dienal
ZINC: ZINC000033953352
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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