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BioLiP

PDB CCD ID: DR0
Number of entries in BioLiP: 0
Chemical formula: C9 H22 N O
InChI: InChI=1S/C9H22NO/c1-4-5-6-7-8-10(2,3)9-11/h11H,4-9H2,1-3H3/q+1
InChIKey: HSCKPPPLTPBXED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OC[N+](CCCCCC)(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCC[N+](C)(C)CO
Name:N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-1-AMINIUM
ZINC: ZINC000034150377
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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