| Number |
qtl-m1103 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
146 |
| Product ions(Q3) |
86.1 |
| Main fragments |
|
| Compound |
gamma-Butyrobetaine |
| Identification |
putative |
| class |
Alkaloid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16244 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
3538300;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
4-(trimethylammonio)butanoate;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An amino-acid betaine gamma-aminobutyric acid zwitterion in which all of the hydrogens attached to the nitrogen are replaced by methyl groups.;; |
| DrugBank Database Links |
|
| Formulae |
C7H15NO2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
4-(trimethylammonio)butanoate;; |
| InChI |
InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3;; |
| InChIKey |
JHPNVNIEXXLNTR-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 2.8.3.21;;EC 1.2.1.47;;EC 1.14.11.1;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
29 Jan 2015;; |
| Mass |
145.19954;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2007191381;;US2001021521;; |
| PubChem Database Links |
8144690;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
398096;;3148329;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-71261;;R-HSA-71260;; |
| Rhea Database Links |
RHEA:32835;;RHEA:29427;;RHEA:28418;;RHEA:24028;;RHEA:17985;; |
| SABIO-RK Database Links |
6991;;6990;;3102;;2337;;10202;; |
| SMILES |
C[N+](C)(C)CCCC([O-])=O;; |
| Secondary ChEBI ID |
CHEBI:12047;;CHEBI:20484;; |
| Star |
3;; |
| Synonyms |
gamma-butyrobetaine;;gamma-Butyrobetain;;deoxycarnitine;;butyrobetaine;;Actinine;;4-butyrobetaine;;4-(N-trimethylamino)butyrate;;3-Dehydroxycarnitine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9QZU7;;Q9JLJ3;;Q9JLJ2;;Q98KK0;;Q924Y0;;Q8ZRX3;;Q8ZRX1;;Q8Z9L3;;Q8Z9L1;;Q8XA32;;Q8XA30;;Q8GB19;;Q8FLA4;;Q5R8A4;;Q5R5D8;;Q5PIN5;;Q5PIK9;;Q57TI9;;Q57TI7;;Q3Z5W8;;Q32K59;;Q32K57;;Q2KJH9;;Q29228;;Q1RGG0;;Q1RGF8;;Q19000;;Q0TLV1;;Q0TLU9;;Q0T8F6;;Q0T8F4;;P80193; |
| ChEBI Image |
 |
| |
|
