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BioLiP

PDB CCD ID: CGA
Number of entries in BioLiP: 0
Chemical formula: C7 H11 N O6
InChI: InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13)
InChIKey: ICGBNHCVKQCJHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)COC(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.7.6C(CC(=O)OCC(=O)O)C(C(=O)O)N
CACTVS 3.370NC(CCC(=O)OCC(O)=O)C(O)=O
Name:CARBOXYMETHYLATED 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)(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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