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BioLiP

PDB CCD ID: S9X
Number of entries in BioLiP: 0
Chemical formula: C10 H21 N O2
InChI: InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)
InChIKey: CAITYLFVJGDODP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(CCCC)(C(=O)O)N
CACTVS 3.385CCCCC(N)(CCCC)C(O)=O
Name:2-azanyl-2-butyl-hexanal
ZINC: ZINC000001675140
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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