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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:32416 -
trans
-parinarate
Main
ChEBI Ontology
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ChEBI Name
trans
-parinarate
ChEBI ID
CHEBI:32416
ChEBI ASCII Name
trans-parinarate
Definition
A straight-chain, unsaturated fatty acid anion that is the conjugate base of
trans
-parinaric acid, arising from deprotonation of the carboxylic acid group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H27O2
Net Charge
-1
Average Mass
275.40578
Monoisotopic Mass
275.20165
InChI
InChI=1S/C18H28O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18(19)
20/h3-
10H,2,11-
17H2,1H3,(H,19,20)
/p-
1/b4-
3+,6-
5+,8-
7+,10-
9+
InChIKey
IJTNSXPMYKJZPR-BYFNFPHLSA-M
SMILES
CC\C=C\C=C\C=C\C=C\CCCCCCCC([O-])=O
ChEBI Ontology
Outgoing
trans
-parinarate (
CHEBI:32416
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
trans
-parinarate (
CHEBI:32416
)
is a
polyunsaturated fatty acid anion (
CHEBI:76567
)
trans
-parinarate (
CHEBI:32416
)
is a
straight-chain fatty acid anion (
CHEBI:59203
)
trans
-parinarate (
CHEBI:32416
)
is conjugate base of
trans
-parinaric acid (
CHEBI:32410
)
Incoming
trans
-parinaric acid (
CHEBI:32410
)
is conjugate acid of
trans
-parinarate (
CHEBI:32416
)
IUPAC Name
(9
E
,11
E
,13
E
,15
E
)-octadeca-9,11,13,15-tetraenoate
Synonyms
Sources
all
-
trans
-parinarate
ChEBI
beta-parinarate
ChEBI
β-parinarate
ChEBI
octadeca-9
t
,11
t
,13
t
,15
t
-tetraenoate
ChEBI
Last Modified
08 January 2014