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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:141061 - dodecyl dodecanoate
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ChEBI Name
dodecyl dodecanoate
ChEBI ID
CHEBI:141061
Definition
A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
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Molfile
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Molfile
Molfile
Formula
C24H48O2
Net Charge
0
Average Mass
368.638
Monoisotopic Mass
368.36543
InChI
InChI=1S/C24H48O2/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
21-
23-
26-
24(25)
22-
20-
18-
16-
14-
12-
10-
8-
6-
4-
2/h3-
23H2,1-
2H3
InChIKey
CYUUZGXOQDCCGH-UHFFFAOYSA-N
SMILES
C(CCCCCCCC)CCC(OCCCCCCCCCCCC)=O
Metabolite of Species
Details
Oryza sativa
See:
MetaboLights Study
ChEBI Ontology
Outgoing
dodecyl dodecanoate (
CHEBI:141061
)
has functional parent
dodecan-1-ol (
CHEBI:28878
)
dodecyl dodecanoate (
CHEBI:141061
)
is a
dodecanoate ester (
CHEBI:87659
)
IUPAC Name
dodecyl dodecanoate
Synonyms
Sources
dodecanyl dodecanoate
LIPID MAPS
dodecyl laurate
NIST Chemistry WebBook
lauryl laurate
ChEBI
WE(12:0/12:0)
LIPID MAPS
Manual Xref
Database
LMFA07010031
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
13945-76-1
CAS Registry Number
NIST Chemistry WebBook
1713328
Reaxys Registry Number
Reaxys
Citations
Types
Sources
3814136
PubMed citation
Europe PMC
IND500618446
Agricola citation
Europe PMC
Last Modified
03 July 2018