| SpectraBase Spectrum ID |
9QGk0iPtMJk |
| Name |
Sucrose |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
100405-08-1
104242-10-6
131932-12-2
146054-35-5
146187-04-4
151756-02-4
220376-22-7
29253-78-9
29764-06-5
30027-72-6
47167-52-2
47185-09-1
47257-91-0
50857-68-6
51909-69-4
57-50-1
64533-66-0
65545-99-5
75398-84-4
76056-38-7
78654-77-0
80165-03-3
8027-47-2 |
| ChEBI ID |
17992 |
| Comments |
100 mM sucrose - vendor: Sigma s9378; 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-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| InChI |
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| InChIKey |
CZMRCDWAGMRECN-UGDNZRGBSA-N |
| KEGG Compound ID |
C00089 |
| KEGG Pathways |
PATH: map00052 Galactose metabolism
PATH: map00500 Starch and sucrose metabolism
PATH: map02060 Phosphotransferase system (PTS)
PATH: map04742 Taste transduction |
| PubChem Compound ID |
5988 |
| SMILES |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
| Source File Reference |
bmse000119 |
