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BioLiP

PDB CCD ID: FA6
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N O6
InChI: InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1
InChIKey: WASIBXJFRXJWAR-GKQOBJDDSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C1(O)CC(=N\O)/C(O)C(O)C1
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O
CACTVS 3.341ON=C1C[C](O)(C[CH](O)[CH]1O)C(O)=O
CACTVS 3.341O\N=C1/C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1C(C(C(=NO)CC1(C(=O)O)O)O)O
Name:3-HYDROXYIMINO QUINIC ACID
ChEMBL: CHEMBL363381
DrugBank: DB03739
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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