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BioLiP

PDB CCD ID: MUC
Number of entries in BioLiP: 10
Chemical formula: C6 H6 O4
InChI: InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
InChIKey: HPEKPJGPWNSAAV-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CC(=O)OC1CC(=O)O
OpenEye OEToolkits 1.5.0C1=CC(=O)O[C@H]1CC(=O)O
CACTVS 3.341OC(=O)C[C@@H]1OC(=O)C=C1
ACDLabs 10.04O=C(O)CC1OC(=O)C=C1
CACTVS 3.341OC(=O)C[CH]1OC(=O)C=C1
Name:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid;
muconolactone
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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