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MLA : Summary
Code
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MLA
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One-letter code
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X
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Molecule name
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MALONIC ACID
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Synonyms
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DICARBOXYLIC ACID C3
PROPANEDIOLIC ACID
METHANEDICARBOXYLIC ACID
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Systematic names
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Formula
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C3 H4 O4
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Formal charge
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0
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Molecular weight
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104.061 Da
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SMILES
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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 |
OC(=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 |
OC(=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 | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) |
IUPAC InChI key | OFOBLEOULBTSOW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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11 (7 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2001-08-17
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Last modified at
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2020-06-17
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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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