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BioLiP

PDB CCD ID: HIB
Number of entries in BioLiP: 0
Chemical formula: C10 H11 I O5
InChI: InChI=1S/C10H11IO5/c1-4-5(10(13)14)8(15-2)9(16-3)7(12)6(4)11/h12H,1-3H3,(H,13,14)
InChIKey: JFNYBTUZUIKXSC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O
ACDLabs 10.04O=C(O)c1c(OC)c(OC)c(O)c(I)c1C
CACTVS 3.341COc1c(O)c(I)c(C)c(C(O)=O)c1OC
Name:4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-METHYLBENZOIC ACID
ZINC: ZINC000008299656
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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