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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:140084 -
all
-
trans
-retinyl octanoate
Main
ChEBI Ontology
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ChEBI Name
all
-
trans
-retinyl octanoate
ChEBI ID
CHEBI:140084
ChEBI ASCII Name
all-trans-retinyl octanoate
Definition
An
all
-
trans
-retinyl ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of
all
-
trans
-retinol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
Download
Molfile
XML
SDF
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Molfile
Formula
C28H44O2
Net Charge
0
Average Mass
412.649
Monoisotopic Mass
412.33413
InChI
InChI=1S/C28H44O2/c1-
7-
8-
9-
10-
11-
17-
27(29)
30-
22-
20-
24(3)
15-
12-
14-
23(2)
18-
19-
26-
25(4)
16-
13-
21-
28(26,5)
6/h12,14-
15,18-
20H,7-
11,13,16-
17,21-
22H2,1-
6H3/b15-
12+,19-
18+,23-
14+,24-
20+
InChIKey
AWGMQQGZWRIUJI-UBMBPVGBSA-N
SMILES
C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCC)=O)\C)\C)=C(C)CCC1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
vitamin A
)
fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via
vitamin A
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
all
-
trans
-retinyl octanoate (
CHEBI:140084
)
is a
all
-
trans
-retinyl ester (
CHEBI:63410
)
all
-
trans
-retinyl octanoate (
CHEBI:140084
)
is a
octanoate ester (
CHEBI:87657
)
IUPAC Name
(2
E
,4
E
,6
E
,8
E
)-
3,7-
dimethyl-
9-
(2,6,6-
trimethylcyclohex-
1-
en-
1-
yl)nona-
2,4,6,8-
tetraen-
1-
yl octanoate
Synonyms
Sources
all
-
trans
-retinyl octanoate
UniProt
O
15
-octanoylretinol
ChEBI
retinyl octanoate
ChEBI
vitamin A octanoate
ChEBI
Manual Xref
Database
4509574
ChemSpider
View more database links
Citations
Types
Sources
20628054
PubMed citation
SUBMITTER
7061433
PubMed citation
Europe PMC
Last Modified
28 July 2021