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BioLiP

PDB CCD ID: M8O
Number of entries in BioLiP: 1
Chemical formula: C8 H8 O6
InChI: InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)
InChIKey: GACSIVHAIFQKTC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(/C=C\C(=O)O)CC(=O)CC(=O)O
CACTVS 3.385OC(=O)CC(=O)CC(=O)\C=C/C(O)=O
OpenEye OEToolkits 1.9.2C(C(=O)CC(=O)O)C(=O)C=CC(=O)O
CACTVS 3.385OC(=O)CC(=O)CC(=O)C=CC(O)=O
Name:4-Maleylacetoacetic acid
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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