BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Alpha-Lipoamide

Graphical representations:

alpha-Lipoamide image

Molecular Formula: C8 H15 N O S2

Natural Isotopic Abundance Mass: 205.3408

Mono-Isotopic Molecular Masses:

  • C12N14: 205.0595054888
  • C13N14: 213.0863441912
  • C12N15: 206.056540382
  • C13N15: 214.0833790844

InCHi String: InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)

canonical and isomeric SMILES: C1CSSC1CCCCC(=O)N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
5-(dithiolan-3-yl)pentanamide

PUBCHEM iupac TRADITIONAL NAME
5-(dithiolan-3-yl)valeramide

PUBCHEM iupac CAS NAME
5-(3-dithiolanyl)pentanamide

PUBCHEM iupac SYSTEMATIC NAME
5-(1,2-dithiolan-3-yl)pentanamide

PubChem Substance (SID):   111677894   3547   87691489
PubChem Compound (CID):   863
KEGG: Compound ID   C00248
CAS Registry IDs:   940-69-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 940-69-2   MMCD cq_00180   NMRShiftDB 20200153   LipidMAPS LMFA08010006   NIST Chemistry WebBook 2398303641

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.