| Number |
qtl-m1145 |
| 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) |
176.1 |
| Product ions(Q3) |
130 |
| Main fragments |
|
| Compound |
IAA |
| Identification |
standard |
| class |
Phytohormone |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:70804 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
645-65-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
imidazol-5-ylacetic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is subsituted by an imidazol-5-yl group.;; |
| DrugBank Database Links |
|
| Formulae |
C5H6N2O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
1H-imidazol-5-ylacetic acid;; |
| InChI |
InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9);; |
| InChIKey |
PRJKNHOMHKJCEJ-UHFFFAOYSA-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 |
23 Oct 2015;; |
| Mass |
126.11330;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
160646009;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7181054;;7130180;;6530403;;3597642;;2926392;;22770225;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
OC(=O)Cc1cnc[nH]1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Lopac-I-0375;;Imidazolyl-4-acetic acid;;Imidazole-4-acetic acid;;Imidazole-4-acetate;;Imidazole acetate;;Imidazol-4-ylacetic acid;;IZC;;IMAC;;IAA;;4-Imidazoleacetic acid;;4-Imidazoleacetate;;4(5)-Imidazoleacetate;;2-(1H-imidazole-5-yl)acetic acid;;2-(1H-i |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
