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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:46979 -
N
-acetylsphingosine
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ChEBI Name
N
-acetylsphingosine
ChEBI ID
CHEBI:46979
ChEBI ASCII Name
N-acetylsphingosine
Definition
A
N
-acylsphingosine that has an acetamido group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H39NO3
Net Charge
0
Average Mass
341.52860
Monoisotopic Mass
341.29299
InChI
InChI=1S/C20H39NO3/c1-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
20(24)
19(17-
22)
21-
18(2)
23/h15-
16,19-
20,22,24H,3-
14,17H2,1-
2H3,(H,21,23)
/b16-
15+/t19-
,20+/m0/s1
InChIKey
BLTCBVOJNNKFKC-QUDYQQOWSA-N
SMILES
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(C)=O
Roles Classification
Biological Role
(s):
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
-acetylsphingosine (
CHEBI:46979
)
is a
N
-acylsphingosine (
CHEBI:52639
)
Incoming
1-
O
-[(4
Z
,7
Z
,10
Z
,13
Z
,16
Z
,19
Z
)-docosahexaenoyl]-
N
-acetylsphingosine (
CHEBI:76087
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-arachidonoyl-
N
-acetylsphingosine (
CHEBI:76080
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-linoleoyl-
N
-acetylsphingosine (
CHEBI:76086
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-oleoyl-
N
-acetylsphingosine (
CHEBI:76054
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-palmitoyl-
N
-acetylsphingosine (
CHEBI:76077
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-stearoyl-
N
-acetylsphingosine (
CHEBI:76074
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
N
-acetylsphingosine 1-phosphate (
CHEBI:46981
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
IUPAC Name
N
-[(2
S
,3
R
,4
E
)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
Synonyms
Sources
(2
S
,3
R
,4
E
)-2-(acetylamino)-4-octadecene-1,3-diol
ChEBI
C2-ceramide
ChEBI
N
-(acetyl)-sphing-4-enine
UniProt
N
-[(2
S
,3
R
)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
ChEBI
N
-acetoyl-
D
-
erythro
-sphingosine
ChEBI
N
-acetyl-
D
-
erythro
-sphingosine
ChEBI
Registry Numbers
Types
Sources
1728870
Reaxys Registry Number
Reaxys
3102-57-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
25656578
PubMed citation
Europe PMC
27043542
PubMed citation
Europe PMC
27807662
PubMed citation
Europe PMC
28288862
PubMed citation
Europe PMC
28572944
PubMed citation
Europe PMC
Last Modified
05 September 2018