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:85204 -
N
-oleoylphytosphingosine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N
-oleoylphytosphingosine
ChEBI ID
CHEBI:85204
ChEBI ASCII Name
N-oleoylphytosphingosine
Definition
A phytoceramide in which the
N
-acyl group is specified as oleoyl (9
Z
-octadecenoyl).
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
C36H71NO4
Net Charge
0
Average Mass
581.95320
Monoisotopic Mass
581.53831
InChI
InChI=1S/C36H71NO4/c1-
3-
5-
7-
9-
11-
13-
15-
17-
18-
19-
21-
23-
25-
27-
29-
31-
35(40)
37-
33(32-
38)
36(41)
34(39)
30-
28-
26-
24-
22-
20-
16-
14-
12-
10-
8-
6-
4-
2/h17-
18,33-
34,36,38-
39,41H,3-
16,19-
32H2,1-
2H3,(H,37,40)
/b18-
17-
/t33-
,34+,36-
/m0/s1
InChIKey
ATGQXSBKTQANOH-UWVGARPKSA-N
SMILES
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
N-acylphytosphingosine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-oleoylphytosphingosine (
CHEBI:85204
)
has functional parent
oleic acid (
CHEBI:16196
)
N
-oleoylphytosphingosine (
CHEBI:85204
)
is a
N
-acylphytosphingosine (
CHEBI:31998
)
IUPAC Name
(9
Z
)-
N
-
[(2
S
,3
S
,4
R
)-
1,3,4-
trihydroxyoctadecan-
2-
yl]octadec-
9-
enamide
Synonyms
Sources
Cer(t18:0/18:1
n-9
)
SUBMITTER
N
-(9
Z
-octadecenoyl)-(4
R
)-hydroxysphinganine
UniProt
N
-(9
Z
-octadecenoyl)phytosphingosine
ChEBI
N
-oloeoyl-4-hydroxysphinganine
ChEBI
PHCer C18:1(n-9)
SUBMITTER
Registry Number
Type
Source
10777647
Reaxys Registry Number
Reaxys
Last Modified
01 October 2020