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3Q7 : Summary
Code ![](/pdbe/static/images/help.png)
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3Q7
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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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(trimethylarsonio)acetate
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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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C5 H11 As 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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178.061 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 |
12.01 |
[O-]C(=O)C[As+](C)(C)C |
SMILES
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CACTVS |
3.385 |
C[As+](C)(C)CC([O-])=O |
SMILES
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OpenEye OEToolkits |
1.9.2 |
C[As+](C)(C)CC(=O)[O-] |
Canonical SMILES
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CACTVS |
3.385 |
C[As+](C)(C)CC([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
C[As+](C)(C)CC(=O)[O-] |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SPTHHTGLGVZZRH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (8 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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2014-10-03
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Last modified at ![](/pdbe/static/images/help.png)
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2018-03-23
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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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