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ChEBI
> Main
CHEBI:136814 - 1,3-dioctanoylglycerol
Main
ChEBI Ontology
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ChEBI Name
1,3-dioctanoylglycerol
ChEBI ID
CHEBI:136814
Definition
A 1,3-diglyceride in which both acyl groups are specified as octanoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C19H36O5
Net Charge
0
Average Mass
344.487
Monoisotopic Mass
344.25627
InChI
InChI=1S/C19H36O5/c1-
3-
5-
7-
9-
11-
13-
18(21)
23-
15-
17(20)
16-
24-
19(22)
14-
12-
10-
8-
6-
4-
2/h17,20H,3-
16H2,1-
2H3
InChIKey
DMBAVJVECSKEPF-UHFFFAOYSA-N
SMILES
O(C(=O)CCCCCCC)CC(O)COC(=O)CCCCCCC
Metabolite of Species
Details
Brassica napus
(NCBI:txid3708)
See:
MetaboLights Study
Brassica napus
(NCBI:txid3708)
See:
PubMed
Roles Classification
Biological Role
(s):
Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (
Brassica napus
).
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
(via
diglyceride
)
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
diglyceride
)
Application
(s):
excipient
A generally pharmacologically inactive substance that is formulated with the active ingredient of a medication.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,3-dioctanoylglycerol (
CHEBI:136814
)
has functional parent
octanoic acid (
CHEBI:28837
)
1,3-dioctanoylglycerol (
CHEBI:136814
)
has role
Brassica napus
metabolite (
CHEBI:140165
)
1,3-dioctanoylglycerol (
CHEBI:136814
)
has role
excipient (
CHEBI:75324
)
1,3-dioctanoylglycerol (
CHEBI:136814
)
is a
1,3-diglyceride (
CHEBI:47777
)
IUPAC Name
2-hydroxypropane-1,3-diyl dioctanoate
Synonyms
Sources
1,3-dicaprylin
ChEBI
1,3-Dicapryloylglycerol
ChemIDplus
DAG(8:0/0:0/8:0)
HMDB
DG(8:0/0:0/8:0)
HMDB
diacylglycerol (8:0/0:0/8:0)
HMDB
Manual Xrefs
Databases
CPD0-1815
MetaCyc
HMDB0092900
HMDB
View more database links
Registry Numbers
Types
Sources
1429-66-9
CAS Registry Number
ChemIDplus
1801556
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11607161
PubMed citation
Europe PMC
1597192
PubMed citation
Europe PMC
18781647
PubMed citation
Europe PMC
2163772
PubMed citation
Europe PMC
2743997
PubMed citation
Europe PMC
3233220
PubMed citation
Europe PMC
4026306
PubMed citation
Europe PMC
7993666
PubMed citation
Europe PMC
8077290
PubMed citation
Europe PMC
8280103
PubMed citation
Europe PMC
8387343
PubMed citation
Europe PMC
Last Modified
16 April 2018