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BioLiP

PDB CCD ID: DMH
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O3
InChI: InChI=1S/C6H12N2O3/c1-8(2)5(9)3-4(7)6(10)11/h4H,3,7H2,1-2H3,(H,10,11)/t4-/m0/s1
InChIKey: AHEBZPSPUGRPFZ-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)C(=O)CC(C(=O)O)N
ACDLabs 10.04O=C(N(C)C)CC(N)C(=O)O
CACTVS 3.341CN(C)C(=O)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)C(=O)C[C@@H](C(=O)O)N
CACTVS 3.341CN(C)C(=O)C[CH](N)C(O)=O
Name:N4,N4-DIMETHYL-ASPARAGINE
ZINC: ZINC000008203399
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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