| SpectraBase Compound ID | LY5M9WIJ7Ht |
|---|---|
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 |
| InChIKey | GUBGYTABKSRVRQ-XLOQQCSPSA-N |
| Mol Weight | 342.3 g/mol |
| Molecular Formula | C12H22O11 |
| Exact Mass | 342.116212 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | weaOc4OmQE |
|---|---|
| Name | alpha-Lactose |
| Acquisition Mode | SIMULTANEOUS |
| CAS Registry Number | 14641-93-1 |
| Comments | 100 mM alpha-lactose monohydrate - vendor: Sigma l3625; 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,3S,4S,5R,6S)-2-methylol-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 |
| InChIKey | GUBGYTABKSRVRQ-XLOQQCSPSA-N |
| KEGG Compound ID | C00243 |
| KEGG Pathways | PATH: map00052 Galactose metabolism PATH: map02060 Phosphotransferase system (PTS) |
| PubChem Compound ID | 84571 |
| SMILES | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O |
| Source File Reference | bmse000065 |