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(Q82247499)
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English
D-THEANINE
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
174.100442308
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
theanine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
N(5)-ethyl-L-glutamine zwitterion
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₄N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN=C(O)CCC(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCNC(=O)CC[C@@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m1/s1
0 references
InChIKey
DATAGRPVKZEWHA-RXMQYKEDSA-N
0 references
CAS Registry Number
5822-62-8
0 references
PubChem CID
9964226
1 reference
matched by identifier from
InChIKey
InChIKey
DATAGRPVKZEWHA-RXMQYKEDSA-N
38989219
1 reference
matched by identifier from
InChIKey
InChIKey
DATAGRPVKZEWHA-RXMQYKEDSA-N
DSSTox substance ID
DTXSID60433375
1 reference
matched by identifier from
InChIKey
InChIKey
DATAGRPVKZEWHA-RXMQYKEDSA-N
DSSTOX compound identifier
DTXCID70384203
0 references
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