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BioLiP

PDB CCD ID: 8JI
Number of entries in BioLiP: 4
Chemical formula: C12 H13 N O5
InChI: InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m0/s1
InChIKey: GQFHIYFXQQEWME-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(C(=O)O)NC(=O)CCC(=O)O
CACTVS 3.385OC(=O)CCC(=O)N[C@H](C(O)=O)c1ccccc1
ACDLabs 12.01O=C(O)CCC(=O)NC(C(=O)O)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O
Name:N-succinyl-L-phenylglycine
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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