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(Q105028640)
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English
4-oxododecanedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
biogenic acyclic ketone
0 references
mass
244.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₅
0 references
canonical SMILES
O=C(O)CCC(=O)CCCCCCCC(=O)O
0 references
found in taxon
Fusarium fujikuroi
1 reference
stated in
New metabolites of Fusarium moniliforme sheld
Identifiers
InChI
InChI=1S/C12H20O5/c13-10(8-9-12(16)17)6-4-2-1-3-5-7-11(14)15/h1-9H2,(H,14,15)(H,16,17)
0 references
InChIKey
HHXMOTDTSDYYEI-UHFFFAOYSA-N
0 references
PubChem CID
13213508
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HHXMOTDTSDYYEI-UHFFFAOYSA-N
ChEBI ID
183468
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H20O5/c13-10(8-9-12(16)17)6-4-2-1-3-5-7-11(14)15/h1-9H2,(H,14,15)(H,16,17)
UniChem compound ID
23386167
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801349273
1 reference
matched by identifier from
InChIKey
InChIKey
HHXMOTDTSDYYEI-UHFFFAOYSA-N
UNII
SK9QS92H2X
1 reference
matched by identifier from
InChIKey
InChIKey
HHXMOTDTSDYYEI-UHFFFAOYSA-N
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