SEQ2FUN

BioLiP

PDB CCD ID: FU0
Number of entries in BioLiP: 1
Chemical formula: C7 H8 O4
InChI: InChI=1S/C7H8O4/c8-7(9)11-5-3-6-2-1-4-10-6/h1-2,4H,3,5H2,(H,8,9)
InChIKey: SFUJACCQACPZEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)OCCc1occc1
OpenEye OEToolkits 1.7.6c1cc(oc1)CCOC(=O)O
ACDLabs 12.01O=C(OCCc1occc1)O
Name:2-(furan-2-yl)ethyl hydrogen carbonate
ZINC: ZINC000098208905
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).