| Number |
qtl-m0304 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
341.2 |
| Product ions(Q3) |
207.1 |
| Main fragments |
207.1, 323.0, 189.1, 163.2, 147.2 |
| Compound |
Fructose 1,6-diphosphate |
| Identification |
putative |
| class |
Saccharides |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16905 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000610;;BIOMD0000000607;;BIOMD0000000606;;BIOMD0000000605;;BIOMD0000000604;;BIOMD0000000603;;BIOMD0000000572;;BIOMD0000000541;;BIOMD0000000540;;BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000392;; |
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
keto-D-fructose 1,6-bisphosphate;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6.;; |
| DrugBank Database Links |
|
| Formulae |
C6H14O12P2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
D-fructose 1,6-bis(dihydrogen phosphate);; |
| InChI |
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1;; |
| InChIKey |
XPYBSIWDXQFNMH-UYFOZJQFSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
21 Jan 2016;; |
| Mass |
340.11568;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8143597;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
4610358;;13150027;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-71670;;R-HSA-71496;;R-HSA-71495;;R-HSA-70479;;R-HSA-70467;;R-HSA-111524;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9261;;9;;7749;;7171;;61;;24;;23;;22;;2084;;1338;;12003;;11448;;11447;;11364;;11291;;1119;;1117;;1113;;108;;10754;;10726;; |
| SMILES |
[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O;; |
| Secondary ChEBI ID |
CHEBI:12924;;CHEBI:4120;; |
| Star |
3;; |
| Synonyms |
fructose-1,6-diphosphate;;Harden-Young ester;;D-fructose-1,6-diphosphate;;1,6-di-O-phosphono-D-fructose;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZU52;;Q9ZMQ6;;Q9ZJ74;;Q9ZEM7;;Q9Z8Q7;;Q9Z6C3;;Q9Z1N1;;Q9YG90;;Q9XF47;;Q9XDP3;;Q9X8R6;;Q9WY52;;Q9WUA3;;Q9V2Z7;;Q9V2I6;;Q9V1A6;;Q9URB4;;Q9SYP2;;Q9SJU4;;Q9SDL8;;Q9RWN1;;Q9QXD6;;Q9PQV8;;Q9PPP3;;Q9PKH8;;Q9PF52;;Q9N0J6;;Q9MA79;;Q9M0F9;;Q9M076;;Q9LBE7;;Q9L9E3; |
| ChEBI Image |
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