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> Main
CHEBI:177027 - laurate phytyl ester
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ChEBI Name
laurate phytyl ester
ChEBI ID
CHEBI:177027
Definition
A fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of dodecanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
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Formula
C32H62O2
Net Charge
0
Average Mass
478.846
Monoisotopic Mass
478.47498
InChI
InChI=1S/C32H62O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
25-
32(33)
34-
27-
26-
31(6)
24-
18-
23-
30(5)
22-
17-
21-
29(4)
20-
16-
19-
28(2)
3/h26,28-
30H,7-
25,27H2,1-
6H3/b31-
26+/t29-
,30-
/m1/s1
InChIKey
AGWFXWWNJHQGIB-KONNFPMYSA-N
SMILES
CCCCCCCCCCCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Roles Classification
Biological Role
(s):
Arabidopsis thaliana metabolite
Any plant metabolite that is produced by
Arabidopsis thaliana
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
laurate phytyl ester (
CHEBI:177027
)
has role
Arabidopsis thaliana
metabolite (
CHEBI:140602
)
laurate phytyl ester (
CHEBI:177027
)
is a
dodecanoate ester (
CHEBI:87659
)
laurate phytyl ester (
CHEBI:177027
)
is a
fatty acid phytyl ester (
CHEBI:177021
)
IUPAC Name
(2
E
,7
R
,11
R
)-3,7,11,15-tetramethylhexadec-2-en-1-yl dodecanoate
Synonyms
Sources
(2
E
,7
R
,11
R
)-3,7,11,15-tetramethyl-2-hexadecen-1-yl dodecanoate
ChEBI
(2
E
,7
R
,11
R
)-3,7,11,15-tetramethyl-2-hexadecen-1-yl dodecanoic acid ester
ChEBI
dodecanoate phytyl ester
UniProt
dodecanoate phytyl ester
ChEBI
phytyl dodecanoate
ChemIDplus
phytyl laurate
ChemIDplus
Manual Xref
Database
21248492
ChemSpider
View more database links
Registry Number
Type
Source
72996-18-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
22623494
PubMed citation
Europe PMC
Last Modified
10 August 2021