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BioLiP

PDB CCD ID: YBR
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKey: XLBVNMSMFQMKEY-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN[CH](CCC(O)=O)C(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CNC(CCC(=O)O)C(=O)O
OpenEye OEToolkits 2.0.7CN[C@H](CCC(=O)O)C(=O)O
CACTVS 3.385CN[C@H](CCC(O)=O)C(O)=O
Name:N-methyl-D-glutamic acid
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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