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(Q106009794)
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English
O-heptadecanoylcarnitine
chemical compound
3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acyl carnitines
0 references
mass
413.350508984
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₄₇NO₄
0 references
canonical SMILES
O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCCC)C[N+](C)(C)C
0 references
Identifiers
InChI
InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
DWSFAVOTORHAAL-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
106182-29-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
53477803
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
131887
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
31996583
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0006210
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMFA07070067
1 reference
InChIKey
DWSFAVOTORHAAL-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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