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(Q82862690)
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English
Dodecanoic acid, 2-ethyl-
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
branched chain fatty acids
0 references
mass
228.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₈O₂
0 references
canonical SMILES
O=C(O)C(CC)CCCCCCCCCC
0 references
found in taxon
Averrhoa bilimbi
1 reference
stated in
Antiradical and Xanthine Oxidase Inhibitory Activity Evaluations of L. Leaves and Tentative Identification of Bioactive Constituents through LC-QTOF-MS/MS and Molecular Docking Approach
Identifiers
InChI
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
0 references
InChIKey
SDKATVAEMVYSAB-UHFFFAOYSA-N
0 references
CAS Registry Number
2874-75-1
1 reference
InChIKey
SDKATVAEMVYSAB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2874-75-1
PubChem CID
102894
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SDKATVAEMVYSAB-UHFFFAOYSA-N
ChEBI ID
179789
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
SureChEMBL ID
SCHEMBL1814997
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SDKATVAEMVYSAB-UHFFFAOYSA-N
UniChem compound ID
25094281
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50883901
1 reference
matched by identifier from
InChIKey
InChIKey
SDKATVAEMVYSAB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301023383
0 references
KNApSAcK ID
C00052635
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SDKATVAEMVYSAB-UHFFFAOYSA-N
LIPID MAPS ID
LMFA01020158
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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