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BioLiP Library

PDB CCD ID: 81K
Number of entries in BioLiP: 1
Chemical formula: C16 H30 O
InChI: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
InChIKey: QFPVVMKZTVQDTL-FPLPWBNLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCC=CCCCCCCCC=O
OpenEye OEToolkits 2.0.7CCCCCC/C=C\CCCCCCCC=O
CACTVS 3.385CCCCCC\C=C/CCCCCCCC=O
Name:(Z)-hexadec-9-enal
ZINC: ZINC000059725570
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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