| SpectraBase Spectrum ID |
BM9Gff5YMNU |
| 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 |
