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BioLiP

PDB CCD ID: YQA
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N O5
InChI: InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1
InChIKey: DNLLCWBTFPFCLN-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O
OpenEye OEToolkits 2.0.6C1C(C=NC(=C1C(=O)O)C(=O)O)O
CACTVS 3.385O[C@@H]1CC(=C(N=C1)C(O)=O)C(O)=O
CACTVS 3.385O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O
Name:5-hydroxy,-4,5-dihydroquinolinate
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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