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OMZ : Summary
Code ![](/pdbe/static/images/help.png)
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OMZ
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H10 Cl N O4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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231.633 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1cc(ccc1O)C(O)C(C(=O)O)N |
SMILES
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CACTVS |
3.352 |
N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.6.1 |
c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O |
Canonical SMILES
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CACTVS |
3.352 |
N[C@H]([C@H](O)c1ccc(O)c(Cl)c1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BACZBJKOFPGENQ-HTQZYQBOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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D-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2010-08-06
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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