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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52644 - 2-
O
-decyl-1,3-di-
O
-stearoylglycerol
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ChEBI Ontology
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ChEBI Name
2-
O
-decyl-1,3-di-
O
-stearoylglycerol
ChEBI ID
CHEBI:52644
ChEBI ASCII Name
2-O-decyl-1,3-di-O-stearoylglycerol
Definition
An alkyldiacylglyceride compound with stearoyl (octadecanoyl) groups at the 1- and 3-positions and an n-decyl group at the 2-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C49H96O5
Net Charge
0
Average Mass
765.28350
Monoisotopic Mass
764.72578
InChI
InChI=1S/C49H96O5/c1-
4-
7-
10-
13-
16-
19-
21-
23-
25-
27-
29-
31-
33-
36-
39-
42-
48(50)
53-
45-
47(52-
44-
41-
38-
35-
18-
15-
12-
9-
6-
3)
46-
54-
49(51)
43-
40-
37-
34-
32-
30-
28-
26-
24-
22-
20-
17-
14-
11-
8-
5-
2/h47H,4-
46H2,1-
3H3
InChIKey
QTQBFRLXJHHRMD-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCC
ChEBI Ontology
Outgoing
2-
O
-decyl-1,3-di-
O
-stearoylglycerol (
CHEBI:52644
)
is a
alkyldiacylglyceride (
CHEBI:166986
)
IUPAC Name
2-(decyloxy)propane-1,3-diyl dioctadecanoate
Synonym
Source
2-decyl-1,3-distearoylglycerol
ChEBI
Registry Number
Type
Source
2031976
Beilstein Registry Number
Beilstein
Last Modified
19 January 2023