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> Main
CHEBI:18168 - 2-oxophytanic acid
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ChEBI Name
2-oxophytanic acid
ChEBI ID
CHEBI:18168
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11642, CHEBI:1258
Supplier Information
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Formula
C20H38O3
Net Charge
0
Average Mass
326.51392
Monoisotopic Mass
326.28210
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)
InChIKey
CQJGVSCAFSXDSB-UHFFFAOYSA-N
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-oxophytanic acid (
CHEBI:18168
)
has functional parent
phytanic acid (
CHEBI:16285
)
2-oxophytanic acid (
CHEBI:18168
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
2-oxophytanic acid (
CHEBI:18168
)
is conjugate acid of
2-oxophytanate (
CHEBI:58400
)
Incoming
2-oxophytanate (
CHEBI:58400
)
is conjugate base of
2-oxophytanic acid (
CHEBI:18168
)
IUPAC Name
3,7,11,15-tetramethyl-2-oxohexadecanoic acid
Synonyms
Sources
2-Oxophytanate
KEGG COMPOUND
2-Oxophytanic acid
KEGG COMPOUND
Manual Xref
Database
C02117
KEGG COMPOUND
View more database links
Last Modified
10 January 2019