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(Q82694186)
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English
(2S)-2-Hydroxy(1-~13~C)butanedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
DL-malic acid
1 reference
based on heuristic
inferred from InChIKey
mass
135.024878132
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₄H₆O₅
0 references
canonical SMILES
O=C(O)CC(O)[13C](=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C([C@@H]([13C](=O)O)O)C(=O)O
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Identifiers
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1/i4+1
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InChIKey
BJEPYKJPYRNKOW-GZPBOPPUSA-N
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CAS Registry Number
180991-05-3
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PubChem CID
71309560
1 reference
matched by identifier from
InChIKey
InChIKey
BJEPYKJPYRNKOW-GZPBOPPUSA-N
UniChem compound ID
48577840
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60745925
1 reference
matched by identifier from
InChIKey
InChIKey
BJEPYKJPYRNKOW-GZPBOPPUSA-N
DSSTOX compound identifier
DTXCID00696669
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