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BioLiP

PDB CCD ID: 9T8
Number of entries in BioLiP: 0
Chemical formula: C8 H21 N3 O
InChI: InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2
InChIKey: CKBSAZMXMFCAGN-UHFFFAOYSA-P
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		C[NH+](C)CCCNC(=O)CC[NH3+]
Name:3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium
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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