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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32639 - acetaminophen glutathione conjugate
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ChEBI Ontology
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ChEBI Name
acetaminophen glutathione conjugate
ChEBI ID
CHEBI:32639
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H24N4O8S
Net Charge
0
Average Mass
456.47132
Monoisotopic Mass
456.13148
InChI
InChI=1S/C18H24N4O8S/c1-
9(23)
21-
10-
2-
4-
13(24)
14(6-
10)
31-
8-
12(17(28)
20-
7-
16(26)
27)
22-
15(25)
5-
3-
11(19)
18(29)
30/h2,4,6,11-
12,24H,3,5,7-
8,19H2,1H3,(H,20,28)
(H,21,23)
(H,22,25)
(H,26,27)
(H,29,30)
/t11-
,12-
/m0/s1
InChIKey
VFNAXGMNFCUWCI-RYUDHWBXSA-N
SMILES
CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1
ChEBI Ontology
Outgoing
acetaminophen glutathione conjugate (
CHEBI:32639
)
has functional parent
paracetamol (
CHEBI:46195
)
acetaminophen glutathione conjugate (
CHEBI:32639
)
is a
glutathione derivative (
CHEBI:24337
)
IUPAC Name
L
-
γ-
glutamyl-
S
-
(5-
acetamido-
2-
hydroxyphenyl)-
L
-
cysteinylglycine
Synonyms
Sources
3-(Glutathion-S-yl)acetaminophen
ChemIDplus
AA-Glutathion
ChemIDplus
AA-Gsh
ChemIDplus
Acetaminophen glutathion
ChemIDplus
Glutathione-S-acetaminophen conjugate
ChemIDplus
Last Modified
11 August 2008