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BioLiP

PDB CCD ID: H3M
Number of entries in BioLiP: 2
Chemical formula: C5 H6 O3
InChI: InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m1/s1
InChIKey: HQIZYPQNJWENRT-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC1=C[CH](O)OC1=O
OpenEye OEToolkits 1.7.6CC1=CC(OC1=O)O
OpenEye OEToolkits 1.7.6CC1=C[C@@H](OC1=O)O
ACDLabs 12.01O=C1OC(O)C=C1C
CACTVS 3.370CC1=C[C@H](O)OC1=O
Name:(5R)-5-hydroxy-3-methylfuran-2(5H)-one
ZINC: ZINC000014490248
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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