SEQ2FUN

BioLiP

PDB CCD ID: 2HA
Number of entries in BioLiP: 9
Chemical formula: C3 H6 O3
InChI: InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey: RXKJFZQQPQGTFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)CO)O
ACDLabs 10.04O=C(CO)CO
CACTVS 3.341OCC(=O)CO
Name:Dihydroxyacetone
ChEMBL: CHEMBL1229937
DrugBank: DB01775
ZINC: ZINC000084397769
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).