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2HA : Summary
Code
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2HA
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One-letter code
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X
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Molecule name
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Dihydroxyacetone
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Systematic names
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Formula
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C3 H6 O3
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Formal charge
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0
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Molecular weight
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90.078 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(CO)CO |
SMILES
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CACTVS |
3.341 |
OCC(=O)CO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(=O)CO)O |
Canonical SMILES
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CACTVS |
3.341 |
OCC(=O)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(=O)CO)O |
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IUPAC InChI | InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 |
IUPAC InChI key | RXKJFZQQPQGTFL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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12 (6 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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saccharide
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Type code
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ATOMS
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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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2003-07-15
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Last modified at
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2020-06-29
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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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