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BioLiP

PDB CCD ID: QMM
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O3
InChI: InChI=1S/C7H14N2O3/c1-9(2)6(10)4-3-5(8)7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKey: SMWQVIPJGSEJPA-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN(C)C(=O)CC[C@@H](C(=O)O)N
CACTVS 3.370CN(C)C(=O)CC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0CN(C)C(=O)CCC(C(=O)O)N
ACDLabs 12.01O=C(N(C)C)CCC(N)C(=O)O
CACTVS 3.370CN(C)C(=O)CC[C@H](N)C(O)=O
Name:N,N-dimethyl-L-glutamine
ZINC: ZINC000032151080
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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