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BioLiP

PDB CCD ID: 2VS
Number of entries in BioLiP: 12
Chemical formula: C6 H6 O4
InChI: InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-
InChIKey: KGLCZTRXNNGESL-WFTYEQLWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(\O)=C\C=C\C=O
OpenEye OEToolkits 1.7.6C(=CC=O)C=C(C(=O)O)O
CACTVS 3.385OC(=O)C(O)=CC=CC=O
OpenEye OEToolkits 1.7.6C(=C/C=O)\C=C(\C(=O)O)/O
CACTVS 3.385OC(=O)C(/O)=C/C=C/C=O
Name:(2Z,4E)-2-hydroxy-6-oxohexa-2,4-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).
  • 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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