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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:15645 - (6
S
)-6-hydroxyhyoscyamine
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ChEBI Name
(6
S
)-6-hydroxyhyoscyamine
ChEBI ID
CHEBI:15645
ChEBI ASCII Name
(6S)-6-hydroxyhyoscyamine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10930, CHEBI:258, CHEBI:18611, CHEBI:10929
Supplier Information
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Formula
C17H23NO4
Net Charge
0
Average Mass
305.36886
Monoisotopic Mass
305.16271
InChI
InChI=1S/C17H23NO4/c1-
18-
12-
7-
13(9-
15(18)
16(20)
8-
12)
22-
17(21)
14(10-
19)
11-
5-
3-
2-
4-
6-
11/h2-
6,12-
16,19-
20H,7-
10H2,1H3/t12-
,13-
,14?,15+,16-
/m0/s1
InChIKey
WTQYWNWRJNXDEG-VXUTWAGNSA-N
SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@@H](O)C2)OC(=O)C(CO)c1ccccc1
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(6
S
)-6-hydroxyhyoscyamine (
CHEBI:15645
)
has functional parent
atropine (
CHEBI:16684
)
(6
S
)-6-hydroxyhyoscyamine (
CHEBI:15645
)
is a
tertiary amine (
CHEBI:32876
)
(6
S
)-6-hydroxyhyoscyamine (
CHEBI:15645
)
is conjugate base of
(6
S
)-6-hydroxyhyoscyaminium (
CHEBI:57459
)
Incoming
(6
S
)-6-hydroxyhyoscyaminium (
CHEBI:57459
)
is conjugate acid of
(6
S
)-6-hydroxyhyoscyamine (
CHEBI:15645
)
IUPAC Name
(1
R
,3
S
,5
R
,6
S
)-
6-
hydroxy-
8-
methyl-
8-
azabicyclo[3.2.1]oct-
3-
yl 3-
hydroxy-
2-
phenylpropanoate
Synonyms
Sources
(3
S
)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate
ChEBI
(6S)-6-hydroxyhyoscyamine
ChEBI
(6S)-6-Hydroxyhyoscyamine
KEGG COMPOUND
(6S)-hydroxyhyoscyamine
ChEBI
(6S)-Hydroxyhyoscyamine
KEGG COMPOUND
Manual Xref
Database
C03325
KEGG COMPOUND
View more database links
Last Modified
04 August 2014