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BioLiP

PDB CCD ID: MEG
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1
InChIKey: FHJNAFIJPFGZRI-UCORVYFPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH](CC(O)=O)[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0CC(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C[C@@H](CC(=O)O)[C@@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)C(CC(=O)O)C
CACTVS 3.370C[C@@H](CC(O)=O)[C@H](N)C(O)=O
Name:(2S,3S)-2-azanyl-3-methyl-pentanedioic acid;
(3S)-3-methyl-L-glutamic acid
ChEMBL: CHEMBL38885
DrugBank: DB01898
ZINC: ZINC000001672628
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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