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ChEBI
> Main
CHEBI:59637 -
S
-nitrosomycothiol
Main
ChEBI Ontology
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ChEBI Name
S
-nitrosomycothiol
ChEBI ID
CHEBI:59637
ChEBI ASCII Name
S-nitrosomycothiol
Definition
The
S
-nitroso derivative of mycothiol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
R. Stephan
Supplier Information
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Molfile
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Molfile
Formula
C17H29N3O13S
Net Charge
0
Average Mass
515.48900
Monoisotopic Mass
515.14211
InChI
InChI=1S/C17H29N3O13S/c1-
4(22)
18-
5(3-
34-
20-
31)
16(30)
19-
7-
9(24)
8(23)
6(2-
21)
32-
17(7)
33-
15-
13(28)
11(26)
10(25)
12(27)
14(15)
29/h5-
15,17,21,23-
29H,2-
3H2,1H3,(H,18,22)
(H,19,30)
/t5-
,6+,7+,8+,9+,10-
,11-
,12+,13+,14+,15-
,17+/m0/s1
InChIKey
SRWNXRWNXKQRNS-FQBKTPCVSA-N
SMILES
CC(=O)
N[C@@H]
(CSN=O)
C(=O)
N[C@@H]
1[C@@H]
(O)
[C@H]
(O)
[C@@H]
(CO)
O[C@@H]
1O[C@H]
1[C@H]
(O)
[C@@H]
(O)
[C@H]
(O)
[C@@H]
(O)
[C@H]
1O
ChEBI Ontology
Outgoing
S
-nitrosomycothiol (
CHEBI:59637
)
has functional parent
mycothiol (
CHEBI:16768
)
S
-nitrosomycothiol (
CHEBI:59637
)
is a
nitrosothio compound (
CHEBI:145545
)
IUPAC Name
1-
O
-
{2-
[(
N
-
acetyl-
S
-
nitroso-
L
-
cysteinyl)amino]-
2-
deoxy-
α-
D
-
glucopyranosyl}-
1
D
-
myo
-
inositol
Synonyms
Sources
(1
S
,2
R
,3
R
,4
S
,5
S
,6
R
)-
2,3,4,5,6-
pentahydroxycyclohexyl 2-
[(
N
-
acetyl-
S
-
nitroso-
L
-
cysteinyl)amino]-
2-
deoxy-
α-
D
-
glucopyranoside
IUPAC
MSNO
SUBMITTER
Citation
Type
Source
12809551
PubMed citation
SUBMITTER
Last Modified
16 January 2020