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BioLiP

PDB CCD ID: FMR
Number of entries in BioLiP: 0
Chemical formula: C4 H2 O4
InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+
InChIKey: VZCYOOQTPOCHFL-OWOJBTEDSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)[O-])C(=O)[O-]
ACDLabs 12.01
CACTVS 3.370		[O-]C(=O)\C=C\C([O-])=O
CACTVS 3.370[O-]C(=O)C=CC([O-])=O
OpenEye OEToolkits 1.7.6C(=C/C(=O)[O-])\C(=O)[O-]
Name:FUMARATE
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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