SEQ2FUN

BioLiP

PDB CCD ID: PGO
Number of entries in BioLiP: 0
Chemical formula: C3 H8 O2
InChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
InChIKey: DNIAPMSPPWPWGF-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CO)O
CACTVS 3.341C[C@H](O)CO
CACTVS 3.341C[CH](O)CO
OpenEye OEToolkits 1.5.0C[C@@H](CO)O
ACDLabs 10.04OCC(O)C
Name:S-1,2-PROPANEDIOL
DrugBank: DB04349
ZINC: ZINC000000895316
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).