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BioLiP

PDB CCD ID: EOU
Number of entries in BioLiP: 3
Chemical formula: C6 H8 O4
InChI: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey: LDCRTTXIJACKKU-ONEGZZNKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC(=O)/C=C/C(=O)OC
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC(=O)C=CC(=O)OC
Name:dimethyl (~{E})-but-2-enedioate
ChEMBL: CHEMBL2107333
DrugBank: DB08908
ZINC: ZINC000003843378
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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