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BioLiP

PDB CCD ID: 1XX
Number of entries in BioLiP: 1
Chemical formula: C6 H8 O3
InChI: InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1
InChIKey: INAXVXBDKKUCGI-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C@H]1OC(=C(O)C1=O)C
OpenEye OEToolkits 1.7.6C[C@@H]1C(=O)C(=C(O1)C)O
ACDLabs 12.01O=C1C(O)=C(OC1C)C
OpenEye OEToolkits 1.7.6CC1C(=O)C(=C(O1)C)O
CACTVS 3.370C[CH]1OC(=C(O)C1=O)C
Name:(2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one
ZINC: ZINC000084397754
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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