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TTQ : Summary
Code
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TTQ
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One-letter code
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W
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Molecule name
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6-AMINO-7-HYDROXY-L-TRYPTOPHAN
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Systematic names
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Formula
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C11 H13 N3 O3
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Formal charge
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0
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Molecular weight
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235.239 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N |
SMILES
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CACTVS |
3.341 |
N[CH](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N |
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IUPAC InChI | InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1 |
IUPAC InChI key | AGPIOLMMNWQUSU-QMMMGPOBSA-N |
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wwPDB Information |
Atom count
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30 (17 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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2006-08-21
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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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