N-(indol-3-ylacetyl)glutamine
PubChem CID: 25200879
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-(indol-3-ylacetyl)glutamine, 3-IAA glutamine, Indoleacetyl glutamine, 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid, Heteroauxin glutamine, Indoleacetate glutamine, N-indoleacetylglutamine, Indolylacetate glutamine, b-Indoleacetate glutamine, 3-Indoleacetate glutamine, b-Indolylacetate glutamine, 3-Indolylacetate glutamine, Indoleacetic acid glutamine, N-3-Indolylacethylglutamin, Indole-3-acetate glutamine, beta-Indoleacetate glutamine, Indolylacetic acid glutamine, Indol-3-ylacetate glutamine, Indolyl-3-acetate glutamine, beta-Indolylacetate glutamine, b-Indoleacetic acid glutamine, 3-Indoleacetic acid glutamine, b-Indolylacetic acid glutamine, 3-Indolylacetic acid glutamine, 1H-Indole-3-acetate glutamine, Indole-3-acetic acid glutamine, 3-Indole-Acetic acid glutamine, 1H-indol-3-ylacetate glutamine, beta-Indoleacetic acid glutamine, Indol-3-ylacetic acid glutamine, Indolyl-3-acetic acid glutamine, 2-(3-Indolyl)acetate glutamine, SCHEMBL22322144, beta-Indolylacetic acid glutamine, CHEBI:70811, 3-(Carboxymethyl)indole glutamine, Indole-3-acetic-acid-O-glutamine, DTXSID001335890, DTXSID901209135, Kyselina 3-indolyloctova glutamine, 1H-Indole-3-acetic acid glutamine, 1H-indol-3-ylacetic acid glutamine, (1H-Indol-3-yl)-acetate glutamine, 2-(3-Indolyl)acetic acid glutamine, beta-Indole-3-acetic acid glutamine, 2-(1H-indol-3-yl)acetate glutamine, N(2)-(1H-indol-3-ylacetyl)glutamine, (1H-Indol-3-yl)-acetic acid glutamine, 2-(1H-indol-3-yl)acetic acid glutamine, 945374-89-0, N2-[2-(1H-Indol-3-yl)acetyl]glutamine, N2-[2-(1H-Indol-3-yl)acetyl]-L-glutamine, Q27139114, 4-carbamoyl-2-[2-(1H-indol-3-yl)acetamido]butanoic acid, 5-amino-2-[(1H-indol-3-ylacetyl)amino]-5-oxopentanoic acid |
|---|---|
| Topological Polar Surface Area | 125.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Description | Indoleacetyl glutamine is indolic derivative of tryptophan. It is generated from indoleacetic acid. Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan. Indoleacetyl glutamine frequently occurs at low levels in urine and has been found in elevated levels in the urine of patients with hartnup disease, the characteristic symptoms of the disease are mental retardation and pellagra like skin rash. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C15H17N3O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DVJIJAYHBZALOJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -1.755 |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Logd | -0.399 |
| Synonyms | (1H-Indol-3-yl)-acetate glutamine, (1H-Indol-3-yl)-acetic acid glutamine, 1H-indol-3-ylacetate glutamine, 1H-indol-3-ylacetic acid glutamine, 1H-Indole-3-acetate glutamine, 1H-Indole-3-acetic acid glutamine, 2-(1H-indol-3-yl)acetate glutamine, 2-(1H-indol-3-yl)acetic acid glutamine, 2-(3-Indolyl)acetate glutamine, 2-(3-Indolyl)acetic acid glutamine, 3-(Carboxymethyl)indole glutamine, 3-IAA glutamine, 3-Indole-Acetic acid glutamine, 3-Indoleacetate glutamine, 3-Indoleacetic acid glutamine, 3-Indolylacetate glutamine, 3-Indolylacetic acid glutamine, b-Indoleacetate glutamine, b-Indoleacetic acid glutamine, b-Indolylacetate glutamine, b-Indolylacetic acid glutamine, beta-Indole-3-acetic acid glutamine, beta-Indoleacetate glutamine, beta-Indoleacetic acid glutamine, beta-Indolylacetate glutamine, beta-Indolylacetic acid glutamine, Heteroauxin glutamine, Indol-3-ylacetate glutamine, Indol-3-ylacetic acid glutamine, Indole-3-acetate glutamine, Indole-3-acetic acid glutamine, Indole-3-acetic-acid-O-glutamine, Indoleacetate glutamine, Indoleacetic acid glutamine, Indolyl-3-acetate glutamine, Indolyl-3-acetic acid glutamine, Indolylacetate glutamine, Indolylacetic acid glutamine, Kyselina 3-indolyloctova glutamine |
| Compound Name | N-(indol-3-ylacetyl)glutamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 303.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.122 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 303.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.355098872727272 |
| Inchi | InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)N)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all