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(Q106009790)
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English
2,6-dimethylheptanoyl carnitine
chemical compound
3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate
O-(2,6-dimethylheptanoyl)carnitine
3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acyl carnitines
0 references
mass
301.225308472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₃₁NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
QBYXBONNCVATNQ-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
53477823
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
84095
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
86054
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
32003755
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0006320
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMFA07070029
1 reference
InChIKey
QBYXBONNCVATNQ-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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