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BioLiP

PDB CCD ID: AY9
Number of entries in BioLiP: 2
Chemical formula: C6 H8 O4
InChI: InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
InChIKey: XUKJGZOHRVCEJL-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(=O)C(=CC(O1)CO)O
CACTVS 3.370OC[CH]1OCC(=O)C(=C1)O
ACDLabs 12.01O=C1C(O)=CC(OC1)CO
OpenEye OEToolkits 1.7.6C1C(=O)C(=C[C@H](O1)CO)O
CACTVS 3.370OC[C@H]1OCC(=O)C(=C1)O
Name:Ascopyrone M
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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