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ChEBI
> Main
CHEBI:156045 -
N
-docosanoyltaurine
Main
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ChEBI Name
N
-docosanoyltaurine
ChEBI ID
CHEBI:156045
ChEBI ASCII Name
N-docosanoyltaurine
Definition
A fatty acid-taurine conjugate derived from docosanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
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Formula
C24H49NO4S
Net Charge
0
Average Mass
447.720
Monoisotopic Mass
447.33823
InChI
InChI=1S/C24H49NO4S/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21-
24(26)
25-
22-
23-
30(27,28)
29/h2-
23H2,1H3,(H,25,26)
(H,27,28,29)
InChIKey
SAIMYQVCHHQQMU-UHFFFAOYSA-N
SMILES
C(C(NCCS(O)(=O)=O)=O)CCCCCCCCCCCCCCCCCCCC
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood plasma
(BTO_0000131)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in brain
(BTO:0000142)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-docosanoyltaurine (
CHEBI:156045
)
has functional parent
docosanoic acid (
CHEBI:28941
)
N
-docosanoyltaurine (
CHEBI:156045
)
has role
human metabolite (
CHEBI:77746
)
N
-docosanoyltaurine (
CHEBI:156045
)
is a
fatty acid-taurine conjugate (
CHEBI:132474
)
N
-docosanoyltaurine (
CHEBI:156045
)
is conjugate acid of
N
-docosanoyltaurine(1−) (
CHEBI:146196
)
Incoming
N
-docosanoyltaurine(1−) (
CHEBI:146196
)
is conjugate base of
N
-docosanoyltaurine (
CHEBI:156045
)
IUPAC Name
2-(docosanoylamino)ethanesulfonic acid
Synonyms
Sources
2-(docosanoylamino)ethane-1-sulfonic acid
IUPAC
2-[(1-oxodocosyl)amino]-ethanesulfonic acid
ChEBI
2-docosanamidoethane-1-sulfonic acid
ChEBI
C22:0 NAT
ChEBI
N
-docosanoyl taurine
LIPID MAPS
N
-docosanoyl-taurine
LIPID MAPS
Manual Xref
Database
LMFA08020083
LIPID MAPS
View more database links
Registry Number
Type
Source
783284-48-0
CAS Registry Number
ChEBI
Citations
Types
Sources
16866345
PubMed citation
Europe PMC
25457182
PubMed citation
Europe PMC
29183656
PubMed citation
Europe PMC
Last Modified
06 July 2020