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J1W : Summary
Code ![](/pdbe/static/images/help.png)
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J1W
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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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2-Bromopalmitic acid
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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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C16 H31 Br O2
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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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335.32 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CCCCCCCCCCCCCC[CH](Br)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCCCCCCCCCCC(C(=O)O)Br |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCCCCCCCCCC[C@@H](Br)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCCCCCCCCCC[C@H](C(=O)O)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DPRAYRYQQAXQPE-OAHLLOKOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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50 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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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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2019-01-12
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Last modified at ![](/pdbe/static/images/help.png)
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2020-01-31
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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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