Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:76080 - 1-
O
-arachidonoyl-
N
-acetylsphingosine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-
O
-arachidonoyl-
N
-acetylsphingosine
ChEBI ID
CHEBI:76080
ChEBI ASCII Name
1-O-arachidonoyl-N-acetylsphingosine
Definition
A 1-
O
-acyl-
N
-acylsphingosine in which the
N
- and
O
-acyl groups are specified as acetyl and arachidonoyl respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C40H69NO4
Net Charge
0
Average Mass
627.98020
Monoisotopic Mass
627.52266
InChI
InChI=1S/C40H69NO4/c1-
4-
6-
8-
10-
12-
14-
16-
18-
19-
20-
21-
23-
25-
27-
29-
31-
33-
35-
40(44)
45-
36-
38(41-
37(3)
42)
39(43)
34-
32-
30-
28-
26-
24-
22-
17-
15-
13-
11-
9-
7-
5-
2/h12,14,18-
19,21,23,27,29,32,34,38-
39,43H,4-
11,13,15-
17,20,22,24-
26,28,30-
31,33,35-
36H2,1-
3H3,(H,41,42)
/b14-
12-
,19-
18-
,23-
21-
,29-
27-
,34-
32+/t38-
,39+/m0/s1
InChIKey
CMAAWROGDNJKGL-HLDXBUSGSA-N
SMILES
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)NC(C)=O
ChEBI Ontology
Outgoing
1-
O
-arachidonoyl-
N
-acetylsphingosine (
CHEBI:76080
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-arachidonoyl-
N
-acetylsphingosine (
CHEBI:76080
)
has functional parent
arachidonic acid (
CHEBI:15843
)
1-
O
-arachidonoyl-
N
-acetylsphingosine (
CHEBI:76080
)
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 (5
Z
,8
Z
,11
Z
,14
Z
)-
icosa-
5,8,11,14-
tetraenoate
Synonyms
Sources
1-(5
Z
,8
Z
,11
Z
,14
Z
)-eicosatetraenoyl-
N
-(acetyl)-sphing-4-enine
UniProt
1-(5
Z
,8
Z
,11
Z
,14
Z
)-icosatetraenoyl-
N
-acetylsphingosine
SUBMITTER
1-20:4(ω-6)-NAS
SUBMITTER
1-arachidonoyl-
N
-acetylsphingosine
ChEBI
Last Modified
14 January 2020