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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:84479 - 7-PAHSA
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ChEBI Ontology
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ChEBI Name
7-PAHSA
ChEBI ID
CHEBI:84479
Definition
A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 7-hydroxystearic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C34H66O4
Net Charge
0
Average Mass
538.88540
Monoisotopic Mass
538.49611
InChI
InChI=1S/C34H66O4/c1-
3-
5-
7-
9-
11-
13-
14-
15-
16-
18-
20-
22-
27-
31-
34(37)
38-
32(29-
25-
23-
26-
30-
33(35)
36)
28-
24-
21-
19-
17-
12-
10-
8-
6-
4-
2/h32H,3-
31H2,1-
2H3,(H,35,36)
InChIKey
USNXMSKYBRAGPQ-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CCCCCC(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
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-PAHSA (
CHEBI:84479
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
7-PAHSA (
CHEBI:84479
)
has functional parent
octadecanoic acid (
CHEBI:28842
)
7-PAHSA (
CHEBI:84479
)
has role
anti-inflammatory agent (
CHEBI:67079
)
7-PAHSA (
CHEBI:84479
)
has role
human metabolite (
CHEBI:77746
)
7-PAHSA (
CHEBI:84479
)
has role
hypoglycemic agent (
CHEBI:35526
)
7-PAHSA (
CHEBI:84479
)
is a
FAHFA (
CHEBI:84426
)
7-PAHSA (
CHEBI:84479
)
is a
long-chain fatty acid (
CHEBI:15904
)
7-PAHSA (
CHEBI:84479
)
is conjugate acid of
7-PAHSA(1−) (
CHEBI:83700
)
Incoming
7-PAHSA(1−) (
CHEBI:83700
)
is conjugate base of
7-PAHSA (
CHEBI:84479
)
IUPAC Name
7-(hexadecanoyloxy)octadecanoic acid
Synonyms
Sources
7-(palmitoyloxy)octadecanoic acid
IUPAC
7-(palmitoyloxy)stearic acid
ChEBI
palmitic acid-7-hydroxystearic acid
ChEBI
Citation
Type
Source
25303528
PubMed citation
Europe PMC
Last Modified
26 January 2015