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BioLiP

PDB CCD ID: TOH
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O4
InChI: InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)
InChIKey: HMXOGGUFCBUALL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)C(=O)C=Cc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=CC(=O)C(=O)O)O
CACTVS 3.341OC(=O)C(=O)\C=C/c1ccccc1O
ACDLabs 10.04O=C(O)C(=O)/C=C\c1ccccc1O
Name:(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC 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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