SEQ2FUN

BioLiP

PDB CCD ID: XXD
Number of entries in BioLiP: 1
Chemical formula: C5 H12 O3
InChI: InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2/t5-/m0/s1
InChIKey: WEAYWASEBDOLRG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(C[C@@H](CO)O)CO
OpenEye OEToolkits 1.7.2C(CC(CO)O)CO
CACTVS 3.370OCCC[CH](O)CO
CACTVS 3.370OCCC[C@H](O)CO
ACDLabs 12.01OCCCC(O)CO
Name:(2S)-pentane-1,2,5-triol
ZINC: ZINC000002045369
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).