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ChEBI
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CHEBI:58400 - 2-oxophytanate
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ChEBI Name
2-oxophytanate
ChEBI ID
CHEBI:58400
Definition
Conjugate base of 2-oxophytanic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19758
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Formula
C20H37O3
Net Charge
-1
Average Mass
325.50600
Monoisotopic Mass
325.27482
InChI
InChI=1S/C20H38O3/c1-
15(2)
9-
6-
10-
16(3)
11-
7-
12-
17(4)
13-
8-
14-
18(5)
19(21)
20(22)
23/h15-
18H,6-
14H2,1-
5H3,(H,22,23)
/p-
1
InChIKey
CQJGVSCAFSXDSB-UHFFFAOYSA-M
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C([O-])=O
ChEBI Ontology
Outgoing
2-oxophytanate (
CHEBI:58400
)
has functional parent
hexadecanoate (
CHEBI:7896
)
2-oxophytanate (
CHEBI:58400
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
2-oxophytanate (
CHEBI:58400
)
is a
2-oxo monocarboxylic acid anion (
CHEBI:35179
)
2-oxophytanate (
CHEBI:58400
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
2-oxophytanate (
CHEBI:58400
)
is conjugate base of
2-oxophytanic acid (
CHEBI:18168
)
Incoming
2-oxophytanic acid (
CHEBI:18168
)
is conjugate acid of
2-oxophytanate (
CHEBI:58400
)
IUPAC Name
3,7,11,15-tetramethyl-2-oxohexadecanoate
Synonym
Source
2-oxophytanate
UniProt
Last Modified
13 November 2017