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BioLiP

PDB CCD ID: TQG
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N O8
InChI: InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1
InChIKey: ZYEJDCAIACBLPZ-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
CACTVS 3.385OC(=O)CC[C@H](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O
CACTVS 3.385OC(=O)CC[CH](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
Name:N-[(3-carboxyphenoxy)acetyl]-L-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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