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MLT : Summary
Code
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MLT
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One-letter code
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X
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Molecule name
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D-MALATE
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Synonyms
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(2R)-2-HYDROXYBUTANEDIOIC ACID
2-HYDROXY-SUCCINIC ACID
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Systematic names
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Formula
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C4 H6 O5
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Formal charge
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0
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Molecular weight
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134.087 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(O)CC(=O)O |
SMILES
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CACTVS |
3.370 |
O[CH](CC(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C(C(C(=O)O)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
O[C@H](CC(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C([C@H](C(=O)O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
IUPAC InChI key | BJEPYKJPYRNKOW-UWTATZPHSA-N |
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wwPDB Information |
Atom count
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15 (9 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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HETAI
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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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1999-07-08
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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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