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3MY : Summary
Code
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3MY
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One-letter code
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Y
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Molecule name
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3-chloro-D-tyrosine
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Systematic names
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Formula
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C9 H10 Cl N O3
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Formal charge
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0
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Molecular weight
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215.634 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1cc(ccc1O)CC(C(=O)O)N |
SMILES
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CACTVS |
3.352 |
N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.6.1 |
c1cc(c(cc1CC(C(=O)O)N)Cl)O |
Canonical SMILES
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CACTVS |
3.352 |
N[C@H](Cc1ccc(O)c(Cl)c1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O |
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IUPAC InChI | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1 |
IUPAC InChI key | ACWBBAGYTKWBCD-SSDOTTSWSA-N |
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wwPDB Information |
Atom count
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24 (14 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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D-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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TYR
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Defined at
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2009-03-27
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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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