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BioLiP

PDB CCD ID: 5UK
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/h4,8-9H,1-2H2,(H,11,12)(H,13,14)/b8-5+/t4-/m0/s1
InChIKey: RVRAXUFLRLVVQJ-FMAAMLBYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O
CACTVS 3.385OCC(=O)C[CH](C(O)=O)C(=N)C(O)=O
CACTVS 3.385OCC(=O)C[C@H](C(O)=O)C(=N)C(O)=O
OpenEye OEToolkits 2.0.4C(C(C(=N)C(=O)O)C(=O)O)C(=O)CO
ACDLabs 12.01OC(\C(=N)C(C(O)=O)CC(CO)=O)=O
Name:2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY 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)(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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