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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76074 - 1-
O
-stearoyl-
N
-acetylsphingosine
Main
ChEBI Ontology
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ChEBI Name
1-
O
-stearoyl-
N
-acetylsphingosine
ChEBI ID
CHEBI:76074
ChEBI ASCII Name
1-O-stearoyl-N-acetylsphingosine
Definition
A 1-
O
-acyl-
N
-acylsphingosine in which the
N
- and
O
-acyl groups are specified as acetyl and stearoyl (octadecanoyl) respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
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Molfile
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Molfile
Formula
C38H73NO4
Net Charge
0
Average Mass
607.99050
Monoisotopic Mass
607.55396
InChI
InChI=1S/C38H73NO4/c1-
4-
6-
8-
10-
12-
14-
16-
18-
19-
21-
23-
25-
27-
29-
31-
33-
38(42)
43-
34-
36(39-
35(3)
40)
37(41)
32-
30-
28-
26-
24-
22-
20-
17-
15-
13-
11-
9-
7-
5-
2/h30,32,36-
37,41H,4-
29,31,33-
34H2,1-
3H3,(H,39,40)
/b32-
30+/t36-
,37+/m0/s1
InChIKey
GQVQVSKCUMRWET-PQCGLYSKSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC
ChEBI Ontology
Outgoing
1-
O
-stearoyl-
N
-acetylsphingosine (
CHEBI:76074
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-stearoyl-
N
-acetylsphingosine (
CHEBI:76074
)
has functional parent
octadecanoic acid (
CHEBI:28842
)
1-
O
-stearoyl-
N
-acetylsphingosine (
CHEBI:76074
)
is a
1-
O
-acyl-
N
-acetylsphingosine (
CHEBI:84483
)
IUPAC Name
(2
S
,3
R
,4
E
)-2-acetamido-3-hydroxyoctadec-4-en-1-yl octadecanoate
Synonyms
Sources
(2
S
,3
R
,4
E
)-2-acetamido-3-hydroxyoctadec-4-en-1-yl stearate
IUPAC
1-
O
-octadecanoyl-
N
-acetylsphingosine
ChEBI
1-octadecanoyl-
N
-(acetyl)-sphing-4-enine
UniProt
1-stearoyl-
N
-acetylsphingosine
ChEBI
Last Modified
14 January 2020