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BioLiP

PDB CCD ID: RUJ
Number of entries in BioLiP: 1
Chemical formula: C7 H17 N2 O2
InChI: InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3/p+1
InChIKey: NXHYIEABELXCMM-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCN([N+](C)(C)C)C
CACTVS 3.385CN(CCC(O)=O)[N+](C)(C)C
OpenEye OEToolkits 1.9.2CN(CCC(=O)O)[N+](C)(C)C
Name:3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE
ZINC: ZINC000098209380
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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