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BioLiP

PDB CCD ID: EN1
Number of entries in BioLiP: 6
Chemical formula: C9 H8 O4
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+
InChIKey: GQYBCIHRWMPOOF-VMPITWQZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1C=C(C(=O)O)O)O
CACTVS 3.352OC(=O)C(O)=Cc1ccc(O)cc1
CACTVS 3.352OC(=O)\C(O)=C/c1ccc(O)cc1
ACDLabs 11.02O=C(O)C(/O)=C\c1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1/C=C(\C(=O)O)/O)O
Name:(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-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).
  • 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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