| Number |
qtl-m0342 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
360.1 |
| Product ions(Q3) |
145 |
| Main fragments |
145.0, 163.1, 97.0, 85.0 |
| Compound |
Sucrose |
| Identification |
putative |
| class |
Saccharides |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17992 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
90825;; |
| BioModels Database Links |
BIOMD0000000392;;BIOMD0000000389;;BIOMD0000000023;; |
| CAS Registry Numbers |
57-50-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
sucrose;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
Sucrose is a disaccharide formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose.;; |
| DrugBank Database Links |
DB02772;; |
| Formulae |
C12H22O11;; |
| Gmelin Registry Numbers |
97695;; |
| INN |
|
| IUPAC Names |
beta-D-fructofuranosyl alpha-D-glucopyranoside;; |
| 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;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 5.4.99.11;;EC 3.1.3.24;;EC 2.4.1.n2;;EC 2.4.1.99;;EC 2.4.1.9;;EC 2.4.1.82;;EC 2.4.1.7;;EC 2.4.1.5;;EC 2.4.1.4;;EC 2.4.1.167;;EC 2.4.1.166;;EC 2.4.1.13;;EC 2.4.1.125;;EC 1.1.99.13;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D06533D00025 |
| KEGG GLYCAN Database Links |
G00370 |
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Mar 2016;; |
| Mass |
342.29650;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008154221;;WO2008131119;;WO2008127663;;WO2007136830;;WO2007135125;;WO2007134870;;WO2007133509;;WO2007132480;;WO2007131972;;WO2007131930;;WO2007131088;;WO2007130373;;WO2007130302;;WO2007129066;;WO2007127172;;WO2007125541;;WO2007125501;;WO2007125492;;WO2 |
| PubChem Database Links |
8143928;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9154994;;9055897;;9003897;;803775;;3760912;;3546377;;2745674;;22944170;;22932811;;22751876;;22404833;;22311778;;22085755;;21972845;;21703290;;2127677;;2026685;;19726178;;19259987;;19212411;;19199566;;18625236;;17597061;;17439666;;17233733;;16665852;;16663 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-5659926;;R-HSA-444606;;R-HSA-189069;; |
| Rhea Database Links |
RHEA:49236;;RHEA:33795;;RHEA:33783;;RHEA:33779;;RHEA:33251;;RHEA:32951;;RHEA:25670;;RHEA:24572;;RHEA:24048;;RHEA:24032;;RHEA:23312;;RHEA:20161;;RHEA:19289;;RHEA:18825;;RHEA:16589;;RHEA:16241;;RHEA:15745;;RHEA:14125;;RHEA:10088;; |
| SABIO-RK Database Links |
8404;;7242;;590;;3913;;3666;;2349;;2110;;1907;;1827;;13828;;13760;;13654;;13653;;13652;;1364;;13123;;12731;;12142;;1150;;1147;;1146;;10769;;10690;; |
| SMILES |
OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O;; |
| Secondary ChEBI ID |
CHEBI:26812;;CHEBI:15128;;CHEBI:9314;;CHEBI:45795;; |
| Star |
3;; |
| Synonyms |
table sugar;;sucrose;;sacarosa;;beta-D-Fruf-(2<->1)-alpha-D-Glcp;;b -D-Fructofuranosyl a-D-glucopyranoside;;White sugar;;Sacharose;;Saccharum;;D-Sucrose;;D-(+)-Sucrose;;D-(+)-Saccharose;;(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymeth |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZWT3;;Q9ZWB4;;Q9ZVK6;;Q9ZV36;;Q9ZV02;;Q9ZU50;;Q9ZTC3;;Q9ZST4;;Q9ZSR7;;Q9ZR27;;Q9ZR26;;Q9ZR25;;Q9ZR03;;Q9ZQP6;;Q9ZNZ7;;Q9ZNS0;;Q9ZMK4;;Q9ZLF6;;Q9ZKZ0;;Q9ZKY8;;Q9ZK31;;Q9ZFN4;;Q9ZF37;;Q9ZEU2;;Q9ZDM8;;Q9ZDF0;;Q9ZBQ6;;Q9ZB73;;Q9ZAD9;;Q9ZAD8;;Q9ZA98;;Q9ZA56; |
| ChEBI Image |
 |
| |
|
