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BioLiP Library

PDB CCD ID: C2T
Number of entries in BioLiP: 1
Chemical formula: C7 H17 N2 O2
InChI: InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1
InChIKey: VFMQJOHSAQMQEH-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCN[N+](C)(C)CC
CACTVS 3.385CC[N+](C)(C)NCCC(O)=O
OpenEye OEToolkits 1.9.2CC[N+](C)(C)NCCC(=O)O
Name:3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
ZINC: ZINC000034156332
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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