SEQ2FUN

BioLiP

PDB CCD ID: 9D2
Number of entries in BioLiP: 10
Chemical formula: C6 H14 O3
InChI: InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKey: ZJCCRDAZUWHFQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCC(CO)(CO)CO
Name:2-ethyl-2-(hydroxymethyl)propane-1,3-diol
ChEMBL: CHEMBL3185136
ZINC: ZINC000000388288
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).