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D-Desthiobiotin
SpectraBase Compound ID Jm1hklpLDMY
InChI InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
InChIKey AUTOLBMXDDTRRT-JGVFFNPUSA-N
Mol Weight 214.26 g/mol
Molecular Formula C10H18N2O3
Exact Mass 214.131742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVHpXaWnPZ1
Name D-Desthiobiotin
Acquisition Mode SIMULTANEOUS
CAS Registry Number 533-48-2
ChEBI ID 42280
Comments 100 mM d-desthiobiotin - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10 H18 N2 O3
IUPAC Name 6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexanoic acid; 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid; 6-[(4R,5S)-5-methyl-2-oxo-imidazolidin-4-yl]hexanoic acid; 6-[(4R,5S)-5-methyl-2-oxo-4-imidazolidinyl]hexanoic acid
InChI InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
InChIKey AUTOLBMXDDTRRT-JGVFFNPUSA-N
PubChem Compound ID 445027
SMILES CC1C(NC(=O)N1)CCCCCC(=O)O; C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O
Source File Reference bmse000314