SEQ2FUN

BioLiP

PDB CCD ID: 000
Number of entries in BioLiP: 0
Chemical formula: C2 H4 O3
InChI: InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)
InChIKey: CXHHBNMLPJOKQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)OC
OpenEye OEToolkits 1.7.0COC(=O)O
CACTVS 3.370COC(O)=O
Name:methyl hydrogen carbonate
ZINC: ZINC000005700932
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).