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OAI : Summary
Code
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OAI
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One-letter code
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X
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Molecule name
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6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID
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Systematic names
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Formula
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C11 H8 N2 O5
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Formal charge
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0
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Molecular weight
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248.192 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)Nc1c(cc2c(c1)ncc2)C(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18) |
IUPAC InChI key | AHWMERGBWWROMM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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26 (18 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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2000-04-17
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Last modified at
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2011-06-04
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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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