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PYR : Summary
Code
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PYR
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One-letter code
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X
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Molecule name
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PYRUVIC ACID
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Systematic names
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Formula
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C3 H4 O3
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Formal charge
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0
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Molecular weight
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88.062 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(C(=O)O)C |
SMILES
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CACTVS |
3.385 |
CC(=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)C(=O)O |
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IUPAC InChI | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) |
IUPAC InChI key | LCTONWCANYUPML-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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10 (6 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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1999-07-08
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Last modified at
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2023-11-03
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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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