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2-Oxooctanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
oxo fatty acids
0 references
mass
158.1953
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₄O₃
0 references
canonical SMILES
CCCCCCC(=O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
0 references
InChIKey
GPPUPQFYDYLTIY-UHFFFAOYSA-N
0 references
CAS Registry Number
328-51-8
1 reference
InChIKey
GPPUPQFYDYLTIY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=328-51-8
PubChem CID
67600
0 references
ChEBI ID
173668
0 references
UniChem compound ID
23433121
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90186468
0 references
DSSTOX compound identifier
DTXCID00108959
0 references
NSC number
950
0 references
Human Metabolome Database ID
HMDB0013211
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMFA01060016
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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