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BioLiP

PDB CCD ID: Y34
Number of entries in BioLiP: 1
Chemical formula: C7 H6 O4 S
InChI: InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
InChIKey: DCCRIIFBJZOPAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1scc2OCCOc12
ACDLabs 12.01C2COc1c(csc1C(=O)O)O2
OpenEye OEToolkits 2.0.7c1c2c(c(s1)C(=O)O)OCCO2
Name:2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
ZINC: ZINC000005177765
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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