SEQ2FUN

BioLiP

PDB CCD ID: SGM
Number of entries in BioLiP: 0
Chemical formula: C3 H8 O2 S
InChI: InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1
InChIKey: PJUIMOJAAPLTRJ-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](CS)O)O
CACTVS 3.352OC[CH](O)CS
ACDLabs 11.02OCC(O)CS
CACTVS 3.352OC[C@@H](O)CS
OpenEye OEToolkits 1.7.0C(C(CS)O)O
Name:MONOTHIOGLYCEROL
DrugBank: DB03864
ZINC: ZINC000003860581
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).