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(Q63399131)
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English
[(2R)-2-butanoyloxy-3-carboxypropyl]-trimethylazanium
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
232.15433460409
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₂₂NO₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
0 references
Identifiers
InChI
InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/p+1/t9-/m1/s1
0 references
InChIKey
QWYFHHGCZUCMBN-SECBINFHSA-O
0 references
PubChem CID
213145
1 reference
matched by identifier from
InChIKey
InChIKey
QWYFHHGCZUCMBN-SECBINFHSA-O
UniChem compound ID
25760585
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Metabolon-MT000060
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