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:76077 - 1-
O
-palmitoyl-
N
-acetylsphingosine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-
O
-palmitoyl-
N
-acetylsphingosine
ChEBI ID
CHEBI:76077
ChEBI ASCII Name
1-O-palmitoyl-N-acetylsphingosine
Definition
A 1-
O
-acyl-
N
-acylsphingosine in which the
N
- and
O
-acyl groups are specified as acetyl and palmitoyl (hexadecanoyl) 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
C36H69NO4
Net Charge
0
Average Mass
579.93740
Monoisotopic Mass
579.52266
InChI
InChI=1S/C36H69NO4/c1-
4-
6-
8-
10-
12-
14-
16-
18-
20-
22-
24-
26-
28-
30-
35(39)
34(37-
33(3)
38)
32-
41-
36(40)
31-
29-
27-
25-
23-
21-
19-
17-
15-
13-
11-
9-
7-
5-
2/h28,30,34-
35,39H,4-
27,29,31-
32H2,1-
3H3,(H,37,38)
/b30-
28+/t34-
,35+/m0/s1
InChIKey
YHEINVWEQIWYCT-LQSBSTQLSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC
ChEBI Ontology
Outgoing
1-
O
-palmitoyl-
N
-acetylsphingosine (
CHEBI:76077
)
has functional parent
N
-acetylsphingosine (
CHEBI:46979
)
1-
O
-palmitoyl-
N
-acetylsphingosine (
CHEBI:76077
)
has functional parent
hexadecanoic acid (
CHEBI:15756
)
1-
O
-palmitoyl-
N
-acetylsphingosine (
CHEBI:76077
)
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 hexadecanoate
Synonyms
Sources
(2
S
,3
R
,4
E
)-2-acetamido-3-hydroxyoctadec-4-en-1-yl palmitate
IUPAC
1-16:0-NAS
SUBMITTER
1-hexadecanoyl-
N
-(acetyl)-sphing-4-enine
UniProt
1-
O
-hexadecanoyl-
N
-acetylsphingosine
ChEBI
1-palmitoyl-
N
-acetylsphingosine
ChEBI
Last Modified
14 January 2020