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ChEBI
> Main
CHEBI:136275 -
N
-(docosanoyl)heptadecasphingosine-1-phosphocholine
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ChEBI Name
N
-(docosanoyl)heptadecasphingosine-1-phosphocholine
ChEBI ID
CHEBI:136275
ChEBI ASCII Name
N-(docosanoyl)heptadecasphingosine-1-phosphocholine
Definition
A sphingomyelin 39:1 obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of heptadecasphingosine-1-phosphocholine.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C44H89N2O6P
Net Charge
0
Average Mass
773.163
Monoisotopic Mass
772.64583
InChI
InChI=1S/C44H89N2O6P/c1-
6-
8-
10-
12-
14-
16-
18-
20-
21-
22-
23-
24-
25-
26-
28-
30-
32-
34-
36-
38-
44(48)
45-
42(41-
52-
53(49,50)
51-
40-
39-
46(3,4)
5)
43(47)
37-
35-
33-
31-
29-
27-
19-
17-
15-
13-
11-
9-
7-
2/h35,37,42-
43,47H,6-
34,36,38-
41H2,1-
5H3,(H-
,45,48,49,50)
/b37-
35+/t42-
,43+/m0/s1
InChIKey
BEHLQMQPYDCEFC-QVDCKBILSA-N
SMILES
C(CCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Metabolite of Species
Details
Papio hamadryas
(NCBI:txid9557)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
Papio hamadryas metabolite
Any mammalian metabolite produced during a metabolic reaction in
Papio hamadryas
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-(docosanoyl)heptadecasphingosine-1-phosphocholine (
CHEBI:136275
)
has functional parent
C
17
sphingosine (
CHEBI:74220
)
N
-(docosanoyl)heptadecasphingosine-1-phosphocholine (
CHEBI:136275
)
has functional parent
docosanoic acid (
CHEBI:28941
)
N
-(docosanoyl)heptadecasphingosine-1-phosphocholine (
CHEBI:136275
)
has role
Papio hamadryas
metabolite (
CHEBI:137684
)
N
-(docosanoyl)heptadecasphingosine-1-phosphocholine (
CHEBI:136275
)
is a
sphingomyelin 39:1 (
CHEBI:85761
)
IUPAC Name
(2
S
,3
R
,4
E
)-
2-
(docosanoylamino)-
3-
hydroxyheptadec-
4-
en-
1-
yl 2-
(trimethylazaniumyl)ethyl phosphate
Synonyms
Sources
N
-(docosanoyl)heptadecasphing-4-enine-1-phosphocholine
ChEBI
SM(d17:1/22:0)
ChEBI
sphingomyelin d17:1/22:0
ChEBI
Manual Xref
Database
LMSP03010066
LIPID MAPS
View more database links
Registry Number
Type
Source
20856796
Reaxys Registry Number
Reaxys
Last Modified
01 November 2017