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MLI : Summary
Code ![](/pdbe/static/images/help.png)
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MLI
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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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MALONATE ION
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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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C3 H2 O4
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Formal charge ![](/pdbe/static/images/help.png)
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-2
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Molecular weight ![](/pdbe/static/images/help.png)
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102.046 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 |
[O-]C(=O)CC([O-])=O |
SMILES
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CACTVS |
3.341 |
[O-]C(=O)CC([O-])=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(=O)[O-])C(=O)[O-] |
Canonical SMILES
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CACTVS |
3.341 |
[O-]C(=O)CC([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(=O)[O-])C(=O)[O-] |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OFOBLEOULBTSOW-UHFFFAOYSA-L |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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9 (7 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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2003-06-12
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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