| SpectraBase Compound ID | ANOkAZhgPzp |
|---|---|
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 |
| InChIKey | HDTRYLNUVZCQOY-LIZSDCNHSA-N |
| Mol Weight | 342.3 g/mol |
| Molecular Formula | C12H22O11 |
| Exact Mass | 342.116212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4ypjK9hfAJd |
|---|---|
| Name | D-Trehalose |
| Acquisition Mode | SIMULTANEOUS |
| CAS Registry Number | 99-20-7 |
| ChEBI ID | 16551 |
| Comments | 100 mM D_trehalose_anhydrous - vendor: Acros 309870250; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium) |
| Copyright | Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source | Madison Metabolomics Consortium |
| Formula | C12H22O11 |
| IUPAC Name | (2R,3R,4S,5R,6R)-2-methylol-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol; (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 |
| InChIKey | HDTRYLNUVZCQOY-LIZSDCNHSA-N |
| KEGG Compound ID | C01083 |
| KEGG Pathways | PATH: map00500 Starch and sucrose metabolism PATH: map02060 Phosphotransferase system (PTS) |
| PubChem Compound ID | 7427 |
| SMILES | C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O |
| Source File Reference | bmse000125 |