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UN1 : Summary
Code
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UN1
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One-letter code
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X
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Molecule name
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2-AMINOHEXANEDIOIC ACID
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Systematic names
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Formula
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C6 H11 N O4
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Formal charge
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0
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Molecular weight
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161.156 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)CCCC(N)C(=O)O |
SMILES
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CACTVS |
3.341 |
N[CH](CCCC(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CC(C(=O)O)N)CC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CCCC(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C[C@@H](C(=O)O)N)CC(=O)O |
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IUPAC InChI | InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 |
IUPAC InChI key | OYIFNHCXNCRBQI-BYPYZUCNSA-N |
Is part of |
WT4
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wwPDB Information |
Atom count
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22 (11 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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UNK
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Defined at
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2002-06-19
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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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