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KAH : Summary
Code
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KAH
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One-letter code
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X
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Molecule name
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5-AMINO-4-HYDROXYHEXANOIC ACID
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Synonyms
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4-KETO-5-AMINO-HEXANOIC ACID
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Systematic names
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Formula
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C6 H13 N O3
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Formal charge
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0
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Molecular weight
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147.172 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)CCC(O)C(N)C |
SMILES
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CACTVS |
3.341 |
C[CH](N)[CH](O)CCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C(CCC(=O)O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](N)[C@H](O)CCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H]([C@@H](CCC(=O)O)O)N |
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IUPAC InChI | InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1 |
IUPAC InChI key | LUMVYMITQCJEGS-RFZPGFLSSA-N |
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wwPDB Information |
Atom count
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23 (10 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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2001-07-09
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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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