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ChEBI
> Main
CHEBI:85881 -
N
-octanoylsphingosine 1-phosphate
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ChEBI Name
N
-octanoylsphingosine 1-phosphate
ChEBI ID
CHEBI:85881
ChEBI ASCII Name
N-octanoylsphingosine 1-phosphate
Definition
An
N
-acylsphingosine 1-phosphate in which the
N
-acyl group is specified as octanoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H52NO6P
Net Charge
0
Average Mass
505.66790
Monoisotopic Mass
505.35323
InChI
InChI=1S/C26H52NO6P/c1-
3-
5-
7-
9-
10-
11-
12-
13-
14-
15-
16-
18-
19-
21-
25(28)
24(23-
33-
34(30,31)
32)
27-
26(29)
22-
20-
17-
8-
6-
4-
2/h19,21,24-
25,28H,3-
18,20,22-
23H2,1-
2H3,(H,27,29)
(H2,30,31,32)
/b21-
19+/t24-
,25+/m0/s1
InChIKey
VSSNYUXSRXINIP-WRBRXSDHSA-N
SMILES
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
N-acylsphingosine 1-phosphate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-octanoylsphingosine 1-phosphate (
CHEBI:85881
)
has functional parent
octanoic acid (
CHEBI:28837
)
N
-octanoylsphingosine 1-phosphate (
CHEBI:85881
)
is a
N
-acylsphingosine 1-phosphate (
CHEBI:16197
)
N
-octanoylsphingosine 1-phosphate (
CHEBI:85881
)
is conjugate acid of
N
-octanoylsphingosine 1-phosphate(2−) (
CHEBI:85376
)
Incoming
N
-octanoylsphingosine 1-phosphate(2−) (
CHEBI:85376
)
is conjugate base of
N
-octanoylsphingosine 1-phosphate (
CHEBI:85881
)
IUPAC Name
(2
S
,3
R
,4
E
)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
Synonyms
Sources
CerP(d18:1/8:0)
ChEBI
N
-octanoylsphing-4-enine 1-phosphate
ChEBI
Registry Number
Type
Source
7051332
Reaxys Registry Number
Reaxys
Last Modified
26 May 2015