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BioLiP

PDB CCD ID: 23A
Number of entries in BioLiP: 4
Chemical formula: C7 H6 O3
InChI: InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=Cc1cccc(O)c1O
CACTVS 3.341Oc1cccc(C=O)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C=O
Name:2,3-DIHYDROXYBENZALDEHYDE
ChEMBL: CHEMBL491995
ZINC: ZINC000000332561
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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