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BioLiP

PDB CCD ID: XQB
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O6
InChI: InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1
InChIKey: VTUFCOFLPXRECR-HFOCJQNASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O
CACTVS 3.385O[C@@H](C[C@H](C(O)=O)C(=N)C(O)=O)C=O
OpenEye OEToolkits 2.0.6C(C(C=O)O)C(C(=N)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.6[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O
Name:2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic 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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