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ENO : Summary
Code
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ENO
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One-letter code
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X
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Molecule name
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3-(4-HYDROXY-PHENYL)PYRUVIC ACID
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Synonyms
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HPP
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Systematic names
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Formula
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C9 H8 O4
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Formal charge
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0
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Molecular weight
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180.157 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)C(=O)Cc1ccc(O)cc1 |
SMILES
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CACTVS |
3.341 |
OC(=O)C(=O)Cc1ccc(O)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CC(=O)C(=O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)C(=O)Cc1ccc(O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CC(=O)C(=O)O)O |
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IUPAC InChI | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) |
IUPAC InChI key | KKADPXVIOXHVKN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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21 (13 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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2021-03-01
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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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