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AZ1 : Summary
Code
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AZ1
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One-letter code
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X
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Molecule name
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AZELAIC ACID
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Systematic names
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Formula
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C9 H16 O4
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Formal charge
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0
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Molecular weight
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188.221 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)CCCCCCCC(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)CCCCCCCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CCCC(=O)O)CCCC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)CCCCCCCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CCCC(=O)O)CCCC(=O)O |
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IUPAC InChI | InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) |
IUPAC InChI key | BDJRBEYXGGNYIS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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29 (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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2004-07-07
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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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