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BioLiP

PDB CCD ID: S1N
Number of entries in BioLiP: 16
Chemical formula: C10 H16 O2
InChI: InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
InChIKey: AFKSPUYAXUNQPA-UXBLZVDNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(CCC=O)=CCCCC=O
CACTVS 3.385C\C(CCC=O)=C/CCCC=O
OpenEye OEToolkits 2.0.7CC(=CCCCC=O)CCC=O
OpenEye OEToolkits 2.0.7C/C(=C\CCCC=O)/CCC=O
Name:(~{E})-4-methylnon-4-enedial
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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