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KYN : Summary
Code
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KYN
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One-letter code
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W
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Molecule name
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(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
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Synonyms
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L-KYNURENINE
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Systematic names
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Formula
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C10 H12 N2 O3
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Formal charge
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0
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Molecular weight
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208.214 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(c1ccccc1N)CC(C(=O)O)N |
SMILES
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CACTVS |
3.370 |
N[CH](CC(=O)c1ccccc1N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)C(=O)CC(C(=O)O)N)N |
Canonical SMILES
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CACTVS |
3.370 |
N[C@@H](CC(=O)c1ccccc1N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N |
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IUPAC 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)/t8-/m0/s1 |
IUPAC InChI key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
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wwPDB Information |
Atom count
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27 (15 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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TRP
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Defined at
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2004-05-16
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Last modified at
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2023-11-03
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Status
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Released
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Obsoleted
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Not Assigned
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