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EOU : Summary
Code
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EOU
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One-letter code
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X
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Molecule name
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dimethyl (~{E})-but-2-enedioate
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Systematic names
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Formula
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C6 H8 O4
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Formal charge
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0
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Molecular weight
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144.125 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COC(=O)C=CC(=O)OC |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COC(=O)C=CC(=O)OC |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)/C=C/C(=O)OC |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COC(=O)/C=C/C(=O)OC |
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IUPAC InChI | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ |
IUPAC InChI key | LDCRTTXIJACKKU-ONEGZZNKSA-N |
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wwPDB Information |
Atom count
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18 (10 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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2020-01-17
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Last modified at
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2020-07-31
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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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