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(Q82006119)
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Q82863552
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English
2-methyldecanoic acid
chemical compound
Decanoic acid, 2-methyl-
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Statements
instance of
group of stereoisomers
0 references
subclass of
branched chain fatty acids
1 reference
subject named as
LMFA01020090
object named as
LMFA0102
based on heuristic
inferred from LIPID MAPS identifier
mass
186.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C(C)CCCCCCCC
0 references
Identifiers
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
1 reference
based on heuristic
inferred from SMILES
InChIKey
SAOSCTYRONNFTC-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
137765-21-0
reason for deprecated rank
withdrawn identifier value
0 references
24323-23-7
0 references
DSSTox substance ID
DTXSID90275881
0 references
DTXSID40884902
0 references
DSSTOX compound identifier
DTXCID40876266
0 references
DTXCID90227249
0 references
LIPID MAPS ID
LMFA01020090
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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