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BioLiP

PDB CCD ID: RVE
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O6
InChI: InChI=1S/C10H8O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,11H,1H2,(H,12,13)(H,14,15)
InChIKey: RFJWXQPFGYFIBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cccc(O/C(C(=O)O)=C)c1O
OpenEye OEToolkits 1.7.6C=C(C(=O)O)Oc1cccc(c1O)C(=O)O
CACTVS 3.370OC(=O)C(=C)Oc1cccc(C(O)=O)c1O
Name:3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid
ZINC: ZINC000087613188
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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