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Structure
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| Relationships |
Total Number of functionally related protein(s) :
424
Total Number of Articles : 1386
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| PubChem |
846
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| Molecular Formula |
C10H12N2O3 |
| SMILES |
C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N |
| InChI |
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) |
| synonyms |
- kynurenine
- 343-65-7
- dl-Kynurenine
- 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid
- 3-Anthraniloylalanine
- 3-Anthraniloyl-DL-alanine
- rac Kynurenine
- Alanine, 3-anthraniloyl-
- (+-)-Kynurenine
- (+/-)-Kynurenine
- Kynurenin
- CHEBI:28683
- 298M20B2AU
- Benzenebutanoic acid, alpha,2-diamino-gamma-oxo-
- Benzenebutanoic acid, .alpha.,2-diamino-.gamma.-oxo-
- alpha-2-Diamino-gamma-oxobenzenebutyric acid
- Quinurenine
- DL-Kynurenine sulfate (salt) monohydrate
- UNII-298M20B2AU
- Alanine, 3-anthraniloyl-, DL-
- EINECS 206-445-9
- Spectrum_001162
- KYNURENINE [MI]
- KYNURENINE, DL-
- SpecPlus_000330
- 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid #
- Spectrum2_001380
- Spectrum3_000781
- Spectrum4_001916
- Spectrum5_000632
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| Properties |
| Property |
Value |
| MW |
208.21 g/mol |
| HBD |
3 |
| HBA |
5 |
| Rotatable Bond Count |
4 |
| Exact Mass |
208.08479225 g/mol |
| Monoisotopic Mass |
208.08479225 g/mol |
| Heavy Atom Count |
15 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
255 |
| xlogp |
-2.2 |
| Topological Polar Surface Area |
106 |
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