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(Q82016501)
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English
2-propan-2-ylbut-2-enedioic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
158.0579088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₀O₄
0 references
canonical SMILES
O=C(O)C=C(C(=O)O)C(C)C
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/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)
0 references
InChIKey
NJMGRJLQRLFQQX-UHFFFAOYSA-N
0 references
CAS Registry Number
44976-69-4
0 references
PubChem CID
230410
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NJMGRJLQRLFQQX-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL346752
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NJMGRJLQRLFQQX-UHFFFAOYSA-N
UniChem compound ID
25815099
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50282273
1 reference
matched by identifier from
InChIKey
InChIKey
NJMGRJLQRLFQQX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50233427
0 references
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