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ChEBI
> Main
CHEBI:72966 -
N
-docosanoylsphingosine
Main
ChEBI Ontology
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ChEBI Name
N
-docosanoylsphingosine
ChEBI ID
CHEBI:72966
ChEBI ASCII Name
N-docosanoylsphingosine
Definition
A
N
-acylsphingosine in which the ceramide
N
-acyl group is specified as docosanoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Alan Bridge
Supplier Information
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Formula
C40H79NO3
Net Charge
0
Average Mass
622.06020
Monoisotopic Mass
621.60600
InChI
InChI=1S/C40H79NO3/c1-
3-
5-
7-
9-
11-
13-
15-
17-
18-
19-
20-
21-
22-
24-
26-
28-
30-
32-
34-
36-
40(44)
41-
38(37-
42)
39(43)
35-
33-
31-
29-
27-
25-
23-
16-
14-
12-
10-
8-
6-
4-
2/h33,35,38-
39,42-
43H,3-
32,34,36-
37H2,1-
2H3,(H,41,44)
/b35-
33+/t38-
,39+/m0/s1
InChIKey
KEPQASGDXIEOIL-GLQCRSEXSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
N-acylsphingosine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-docosanoylsphingosine (
CHEBI:72966
)
has functional parent
docosanoic acid (
CHEBI:28941
)
N
-docosanoylsphingosine (
CHEBI:72966
)
has role
mouse metabolite (
CHEBI:75771
)
N
-docosanoylsphingosine (
CHEBI:72966
)
is a
N
-acylsphingosine (
CHEBI:52639
)
N
-docosanoylsphingosine (
CHEBI:72966
)
is a
Cer(d40:1) (
CHEBI:137571
)
IUPAC Name
N
-[(2
S
,3
R
,4
E
)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide
Synonyms
Sources
C22 Cer
LIPID MAPS
Cer(d18:1/22:0)
LIPID MAPS
Ceramide (d18:1/22:0)
HMDB
N
-(docosanoyl)-sphing-4-enine
UniProt
N
-(docosanoyl)ceramide
LIPID MAPS
N
-(docosanoyl)sphing-4-enine
SUBMITTER
N
-behenoylsphingosine
LIPID MAPS
N
-docosanoylsphing-4-enine
SUBMITTER
Manual Xrefs
Databases
HMDB0004952
HMDB
LMSP02010008
LIPID MAPS
View more database links
Registry Number
Type
Source
7317372
Reaxys Registry Number
Reaxys
Last Modified
30 June 2017