BMRB

Biological Magnetic Resonance Data Bank


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

D-desthiobiotin

Graphical representations:

d-desthiobiotin image

Molecular Formula: C10 H18 N2 O3

Natural Isotopic Abundance Mass: 214.26152

Mono-Isotopic Molecular Masses:

  • C12N14: 214.1317424545
  • C13N14: 224.1652908325
  • C12N15: 216.1258122409
  • C13N15: 226.1593606189

InCHi String:

canonical SMILES: CC1C(NC(=O)N1)CCCCCC(=O)O

isomeric SMILES: C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O

PUBCHEM iupac NAME
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid

PUBCHEM iupac TRADITIONAL NAME
6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexanoic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
6-[(4R,5S)-5-methyl-2-oxo-imidazolidin-4-yl]hexanoic acid

PUBCHEM iupac CAS NAME
6-[(4R,5S)-5-methyl-2-oxo-4-imidazolidinyl]hexanoic acid

PubChem Substance (SID):   85165116   837036   24893431
PubChem Compound (CID):   445027
KEGG: Compound ID   n/a
CAS Registry IDs:   533-48-2
PDB Chemical Component   DTB
Miscellaneous Databases and IDs:   SMID DTB   ChemSpider 392787   ChEBI CHEBI:42280   DiscoveryGate 445027   DrugBank EXPT01280   BIND 883   Sigma-Aldrich D1411_SIGMA   MMDB 12022.6

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.