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(Q82006710)
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English
(2-acetyloxy-3-hydroxypropyl) tetradecanoate
chemical compound
2-(acetyloxy)-3-hydroxypropyl tetradecanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
344.25627425199997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₆O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCC(=O)OCC(CO)OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-16-18(15-20)24-17(2)21/h18,20H,3-16H2,1-2H3
0 references
InChIKey
DUCVQOXJVCRDDH-UHFFFAOYSA-N
0 references
CAS Registry Number
100307-94-6
reason for deprecated rank
cannot be confirmed by other sources
0 references
92758-88-8
reason for deprecated rank
cannot be confirmed by other sources
0 references
PubChem CID
124835
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEMBL ID
CHEMBL186395
0 references
UniChem compound ID
241848
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20276280
0 references
DTXSID40918973
0 references
DSSTOX compound identifier
DTXCID10227600
0 references
DTXCID80876482
0 references
Human Metabolome Database ID
HMDB0249917
1 reference
based on heuristic
inferred from InChIKey
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