N-Malonyltryptophan
PubChem CID: 5199636
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| Compound Synonyms | N-Malonyltryptophan, 29399-11-9, N-malonyl-tryptophan, 2-[(2-carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid, N-(carboxyacetyl)tryptophan, CHEBI:142268, 2-(2-CARBOXYACETAMIDO)-3-(1H-INDOL-3-YL)PROPANOIC ACID, 2-((2-carboxyacetyl)amino)-3-(1H-indol-3-yl)propanoic acid, 2-((2-Carboxy-1-hydroxyethylidene)amino)-3-(1H-indol-3-yl)propanoate, 2-[(2-Carboxy-1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propanoate, N-Malonyl DL-tryptophan, MFCD28122818, DA-42820, SY031176, 2-(2-Carboxyacetamido)-3-(1H-indol-3-yl)propanoate |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | OVEAWSPZRGBTSS-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | N-Malonyltryptophan |
| Heavy Atom Count | 21.0 |
| Compound Name | N-Malonyltryptophan |
| Description | Constituent of various plants including Lycopersicon esculentum (tomato), Medicago sativa (alfalfa) and Melilotus albus (white melilot). N-Malonyltryptophan is found in many foods, some of which are herbs and spices, garden tomato, pulses, and opium poppy. |
| Exact Mass | 290.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 290.27 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2-carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(=O)O |
| Xlogp | 0.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H14N2O5 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all