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(Q83066820)
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English
Octadecanoic acid, 9-oxo-
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
298.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₄O₃
0 references
canonical SMILES
CCCCCCCCCC(=O)CCCCCCCC(=O)O
0 references
found in taxon
Galeopsis bifida
2 references
stated in
New oxo acids of the seed oil ofGaleopsis bifida
stated in
New oxo acids of the seed oil ofGaleopsis bifida
Identifiers
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
0 references
InChIKey
KNYQSFOUGYMRDE-UHFFFAOYSA-N
0 references
CAS Registry Number
4114-74-3
1 reference
InChIKey
KNYQSFOUGYMRDE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=4114-74-3
PubChem CID
3083831
1 reference
matched by identifier from
InChIKey
InChIKey
KNYQSFOUGYMRDE-UHFFFAOYSA-N
ChEBI ID
172114
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
SureChEMBL ID
SCHEMBL1134681
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KNYQSFOUGYMRDE-UHFFFAOYSA-N
UniChem compound ID
31993231
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80194077
1 reference
matched by identifier from
InChIKey
InChIKey
KNYQSFOUGYMRDE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90116568
0 references
Human Metabolome Database ID
HMDB0030979
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KNYQSFOUGYMRDE-UHFFFAOYSA-N
LIPID MAPS ID
LMFA02000245
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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