SEQ2FUN

BioLiP

PDB CCD ID: OEG
Number of entries in BioLiP: 1
Chemical formula: C4 H6 O5
InChI: InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey: QEVGZEDELICMKH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)COCC(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OCC(=O)O
ACDLabs 10.04O=C(O)COCC(=O)O
Name:2,2'-oxydiacetic acid
ChEMBL: CHEMBL1234950
ZINC: ZINC000001648157
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).