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MHW : Summary
Code
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MHW
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One-letter code
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X
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Molecule name
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3-HYDROXYPICOLINIC ACID
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Systematic names
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Formula
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C6 H5 N O3
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Formal charge
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0
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Molecular weight
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139.109 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)c1ncccc1O |
SMILES
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CACTVS |
3.352 |
OC(=O)c1ncccc1O |
SMILES
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OpenEye OEToolkits |
1.6.1 |
c1cc(c(nc1)C(=O)O)O |
Canonical SMILES
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CACTVS |
3.352 |
OC(=O)c1ncccc1O |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
c1cc(c(nc1)C(=O)O)O |
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IUPAC InChI | InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10) |
IUPAC InChI key | BRARRAHGNDUELT-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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15 (10 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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PEPTIDE LINKING
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Type code
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ATOMP
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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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2010-07-15
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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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