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ChEBI
> Main
CHEBI:73894 - aplidiasphingosine
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ChEBI Name
aplidiasphingosine
ChEBI ID
CHEBI:73894
Definition
An amino alcohol that is 2-aminooctadeca-8,16-diene-1,3,14-triol substituted by methyl groups at positions 5, 9, 13 and 17 (the 2
S
,3
R
,8
E
stereoisomer).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H43NO3
Net Charge
0
Average Mass
369.58170
Monoisotopic Mass
369.32429
InChI
InChI=1S/C22H43NO3/c1-
16(2)
12-
13-
21(25)
19(5)
11-
7-
9-
17(3)
8-
6-
10-
18(4)
14-
22(26)
20(23)
15-
24/h8,12,18-
22,24-
26H,6-
7,9-
11,13-
15,23H2,1-
5H3/b17-
8+/t18?,19?,20-
,21?,22+/m0/s1
InChIKey
ASNURABVVXFZSH-CGWCWHFRSA-N
SMILES
CC(CC\C=C(/C)CCCC(C)C(O)CC=C(C)C)C[C@@H](O)[C@@H](N)CO
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
aplidiasphingosine (
CHEBI:73894
)
has role
metabolite (
CHEBI:25212
)
aplidiasphingosine (
CHEBI:73894
)
is a
amino alcohol (
CHEBI:22478
)
aplidiasphingosine (
CHEBI:73894
)
is a
sphingoid (
CHEBI:35785
)
IUPAC Name
(2
S
,3
R
,8
E
)-2-amino-5,9,13,17-tetramethyloctadeca-8,16-diene-1,3,14-triol
Synonym
Source
2
S
-amino-5,9,13,17-tetramethyl-8
E
,16-octadecadiene-1,3
R
,14-triol
LIPID MAPS
Manual Xref
Database
LMSP01080016
LIPID MAPS
View more database links
Registry Number
Type
Source
68862-28-2
CAS Registry Number
ChemIDplus
Last Modified
26 September 2013