SEQ2FUN

BioLiP

PDB CCD ID: RED
Number of entries in BioLiP: 10
Chemical formula: C8 H16 O2 S2
InChI: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChIKey: IZFHEQBZOYJLPK-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CC(CCS)S
OpenEye OEToolkits 1.5.0C(CCC(=O)O)C[C@H](CCS)S
ACDLabs 10.04O=C(O)CCCCC(S)CCS
CACTVS 3.341OC(=O)CCCC[C@@H](S)CCS
CACTVS 3.341OC(=O)CCCC[CH](S)CCS
Name:DIHYDROLIPOIC ACID
ChEMBL: CHEMBL1235647
DrugBank: DB03760
ZINC: ZINC000003869601
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).