| Number |
qtl-m1357 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
277.2 |
| Product ions(Q3) |
84.1 |
| Main fragments |
|
| Compound |
L-saccharopine |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:57951 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;; |
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-saccharopinate(1-);; |
| Charge |
-1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The conjugate base of L-saccharopine arising from deprotonation of all three carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C11H19N2O6;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S)-2-{[(5S)-5-azaniumyl-5-carboxylatopentyl]azaniumyl}pentanedioate;; |
| InChI |
InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t7-,8-/m0/s1;; |
| InChIKey |
ZDGJAHTZVHVLOT-YUMQZZPRSA-M;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 1.5.3.18;;EC 1.5.1.9;;EC 1.5.1.8;;EC 1.5.1.7;;EC 1.5.1.10;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
21 Jan 2016;; |
| Mass |
275.27840;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
103158276;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
|
| Rhea Database Links |
RHEA:28210;;RHEA:24520;;RHEA:19373;;RHEA:12440;;RHEA:10020;; |
| SABIO-RK Database Links |
|
| SMILES |
[NH3+][C@@H](CCCC[NH2+][C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
L-saccharopine;;L-saccharopinate anion;;L-saccharopinate;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9UTM9;;Q9UDR5;;Q9SMZ4;;Q9P4R4;;Q99K67;;Q870G1;;Q7SFX6;;Q75BV4;;Q6FU27;;Q54NG9;;Q09694;;P43065;;P38999;;P38998;;P38997;;O59711;;A8E657;;A2VCW9;; |
| ChEBI Image |
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