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BioLiP

PDB CCD ID: CCU
Number of entries in BioLiP: 6
Chemical formula: C6 H6 O4
InChI: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
InChIKey: TXXHDPDFNKHHGW-CCAGOZQPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=C/C(=O)O)/C=C\C(=O)O
CACTVS 3.341OC(=O)/C=C\C=C/C(O)=O
OpenEye OEToolkits 1.5.0C(=CC(=O)O)C=CC(=O)O
CACTVS 3.341OC(=O)C=CC=CC(O)=O
ACDLabs 10.04O=C(O)\C=C/C=C\C(=O)O
Name:(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID;
CIS,CIS-MUCONIC ACID
ZINC: ZINC000012405128
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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