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(Q82489919)
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English
2-Amino-6-[(3,4,5,6-tetrahydroxy-2-oxohexyl)amino]hexanoic acid (non-preferred name)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
308.158351108
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₄N₂O₇
0 references
canonical SMILES
O=C(O)C(N)CCCCNCC(=O)C(O)C(O)C(O)CO
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Identifiers
InChI
InChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)
0 references
InChIKey
BFSYFTQDGRDJNV-UHFFFAOYSA-N
0 references
CAS Registry Number
117942-10-6
0 references
PubChem CID
18546378
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BFSYFTQDGRDJNV-UHFFFAOYSA-N
UniChem compound ID
1069245
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60594990
1 reference
matched by identifier from
InChIKey
InChIKey
BFSYFTQDGRDJNV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90545753
0 references
Human Metabolome Database ID
HMDB0252495
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFSYFTQDGRDJNV-UHFFFAOYSA-N
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