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E5E : Summary
Code
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E5E
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One-letter code
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X
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Molecule name
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Noradrenaline
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Systematic names
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Formula
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C8 H12 N O3
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Formal charge
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1
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Molecular weight
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170.186 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
[NH3+]C[CH](O)c1ccc(O)c(O)c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(c(cc1C(C[NH3+])O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
[NH3+]C[C@H](O)c1ccc(O)c(O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(c(cc1[C@H](C[NH3+])O)O)O |
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IUPAC InChI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1 |
IUPAC InChI key | SFLSHLFXELFNJZ-QMMMGPOBSA-O |
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wwPDB Information |
Atom count
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24 (12 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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2018-02-19
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Last modified at
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2018-02-23
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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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