| Number |
qtl-m1170 |
| 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) |
192.1 |
| Product ions(Q3) |
146.1 |
| Main fragments |
|
| Compound |
2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| Identification |
putative |
| class |
Organic acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:27823 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
168797;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
54-16-0;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
(5-hydroxyindol-3-yl)acetic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.;; |
| DrugBank Database Links |
|
| Formulae |
C10H9NO3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(5-hydroxy-1H-indol-3-yl)acetic acid;; |
| InChI |
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14);; |
| InChIKey |
DUUGKQCEGZLZNO-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 |
27 Jan 2016;; |
| Mass |
191.18340;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
81058741;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8312985;;7541101;;7508830;;2692637;;2480863;;2480613;;2423050;;2421946;;2411275;;22770225;;19212411;;1708403;;16573644;;16288991;;14575813;;1376106;;12589387;;11697689;;11113939;;11063613;;10923167;;10565811;;10483053;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-380608;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
4543;; |
| SMILES |
OC(=O)Cc1c[nH]c2ccc(O)cc12;; |
| Secondary ChEBI ID |
CHEBI:20585;;CHEBI:2071;; |
| Star |
3;; |
| Synonyms |
Hydroxyindoleacetate;;5HIAA;;5-Oxyindoleacetic acid;;5-Oxyindoleacetate;;5-Hydroxyindoleacetic acid;;5-Hydroxyindoleacetate;;5-Hydroxyindole-3-acetic acid;;5-Hydroxyindole-3-acetate;;5-Hydroxyindole acetate;;5-Hydroxyindol-3-ylacetic acid;;5-Hydroxyindol- |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
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