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BioLiP

PDB CCD ID: 6UN
Number of entries in BioLiP: 4
Chemical formula: C6 H6 O4
InChI: InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,7H,(H,9,10)/b3-1+,4-2+
InChIKey: MTOBWJUHQXQURZ-ZPUQHVIOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5C(=C/C(=O)C(=O)O)\C=C\O
CACTVS 3.385OC=CC=CC(=O)C(O)=O
OpenEye OEToolkits 2.0.5C(=CC(=O)C(=O)O)C=CO
CACTVS 3.385O\C=C\C=C\C(=O)C(O)=O
Name:(3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic 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)(download the PDF file).
  • 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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