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SHH : Summary
Code
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SHH
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One-letter code
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X
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Molecule name
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OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE
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Synonyms
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SAHA
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Systematic names
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Formula
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C14 H20 N2 O3
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Formal charge
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0
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Molecular weight
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264.32 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(Nc1ccccc1)CCCCCCC(=O)NO |
SMILES
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CACTVS |
3.341 |
ONC(=O)CCCCCCC(=O)Nc1ccccc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO |
Canonical SMILES
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CACTVS |
3.341 |
ONC(=O)CCCCCCC(=O)Nc1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO |
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IUPAC InChI | InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) |
IUPAC InChI key | WAEXFXRVDQXREF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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39 (19 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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1999-07-30
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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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