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ZZ8 : Summary
Code
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ZZ8
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One-letter code
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X
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Molecule name
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2-(ACETYLAMINO)BENZOIC ACID
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Synonyms
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N-ACETYLANTHRANILATE
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Systematic names
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Formula
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C9 H9 N O3
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Formal charge
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0
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Molecular weight
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179.173 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(Nc1ccccc1C(=O)O)C |
SMILES
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CACTVS |
3.352 |
CC(=O)Nc1ccccc1C(O)=O |
SMILES
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OpenEye OEToolkits |
1.6.1 |
CC(=O)Nc1ccccc1C(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
CC(=O)Nc1ccccc1C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
CC(=O)Nc1ccccc1C(=O)O |
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IUPAC InChI | InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
IUPAC InChI key | QSACCXVHEVWNMX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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22 (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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2009-05-22
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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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