| Number |
qtl-m0037.2 |
| 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) |
158 |
| Product ions(Q3) |
83 |
| Main fragments |
|
| Compound |
N-Tigloylglycine |
| Identification |
putative |
| class |
Amino acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:73018 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
35842-45-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
tiglylglycine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group.;; |
| DrugBank Database Links |
|
| Formulae |
C7H11NO3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
N-[(2E)-2-methylbut-2-enoyl]glycine;; |
| InChI |
InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+;; |
| InChIKey |
WRUSVQOKJIDBLP-HWKANZROSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Oct 2015;; |
| Mass |
157.16710;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
163425678;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9932958;;9001814;;8087979;;7923765;;21389975;;1861461;;15059617;;14518824;;12210687;;11102558;;10404733;; |
| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
|
| SMILES |
C\C=C(/C)C(=O)NCC(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
N-Tiglylglycine;;N-Tigloylglycine;;N-((E)-2-Methyl-but-2-enoyl)-glycine;;2-[(2E)-2-methylbut-2-enamido]acetic acid;;(E)-N-(2-methyl-1-oxo-2-butenyl)-Glycine;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
 |
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