|
ACT : Summary
Code
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ACT
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One-letter code
|
X
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Molecule name
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ACETATE ION
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Systematic names
|
|
Formula
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C2 H3 O2
|
Formal charge
|
-1
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Molecular weight
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59.044 Da
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SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
[O-]C(=O)C |
SMILES
|
CACTVS |
3.341 |
CC([O-])=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=O)[O-] |
Canonical SMILES
|
CACTVS |
3.341 |
CC([O-])=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=O)[O-] |
|
IUPAC InChI | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 |
IUPAC InChI key | QTBSBXVTEAMEQO-UHFFFAOYSA-M |
Is part of |
OK4
|
|
wwPDB Information |
Atom count
|
7 (4 without Hydrogen)
|
Polymer type
|
Bound ligand
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Type description
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NON-POLYMER
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Type code
|
HETAI
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Is modified
|
No
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Standard parent
|
Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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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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