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5-Oxononanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
oxo fatty acids
0 references
mass
172.2219
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O₃
0 references
canonical SMILES
CCCCC(=O)CCCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
0 references
InChIKey
IOLZRTYKQAFXFB-UHFFFAOYSA-N
0 references
CAS Registry Number
3637-15-8
0 references
PubChem CID
5282980
1 reference
matched by identifier from
InChIKey
InChIKey
IOLZRTYKQAFXFB-UHFFFAOYSA-N
ChEBI ID
179513
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
UniChem compound ID
22691568
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70957698
1 reference
matched by identifier from
InChIKey
InChIKey
IOLZRTYKQAFXFB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601385629
0 references
LIPID MAPS ID
LMFA01060024
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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