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ChEBI
> Main
CHEBI:86086 -
N
-[(11
Z
)-octadecenoyl]-sphingosine-1-phosphocholine
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ChEBI Name
N
-[(11
Z
)-octadecenoyl]-sphingosine-1-phosphocholine
ChEBI ID
CHEBI:86086
ChEBI ASCII Name
N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine
Definition
A
N
-octadecenoylsphingosine-1-phosphocholine in which the acyl group specified is (11
Z
)-octadecenoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C41H81N2O6P
Net Charge
0
Average Mass
729.06540
Monoisotopic Mass
728.58323
InChI
InChI=1S/C41H81N2O6P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
21-
23-
25-
27-
29-
31-
33-
35-
41(45)
42-
39(38-
49-
50(46,47)
48-
37-
36-
43(3,4)
5)
40(44)
34-
32-
30-
28-
26-
24-
22-
19-
17-
15-
13-
11-
9-
7-
2/h16,18,32,34,39-
40,44H,6-
15,17,19-
31,33,35-
38H2,1-
5H3,(H-
,42,45,46,47)
/b18-
16-
,34-
32+/t39-
,40+/m0/s1
InChIKey
FZMKZVXNTLAHFD-RTEXEOPXSA-N
SMILES
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-[(11
Z
)-octadecenoyl]-sphingosine-1-phosphocholine (
CHEBI:86086
)
has role
metabolite (
CHEBI:25212
)
N
-[(11
Z
)-octadecenoyl]-sphingosine-1-phosphocholine (
CHEBI:86086
)
is a
sphingomyelin d18:1/18:1 (
CHEBI:85593
)
IUPAC Name
(2
S
,3
R
,4
E
)-
3-
hydroxy-
2-
{[(11
Z
)-
octadec-
11-
enoyl]oxy}octadec-
4-
en-
1-
yl 2-
(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
SM(d18:1/18:1(11Z))
ChEBI
Sphingomyelin (d18:1/18:1(11Z))
HMDB
Manual Xref
Database
HMDB0012100
HMDB
View more database links
Last Modified
23 January 2018