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CHEBI:64876 - bacillithiol(1−)
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ChEBI Name
bacillithiol(1−)
ChEBI ID
CHEBI:64876
ChEBI ASCII Name
bacillithiol(1-)
Definition
A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups and protonation of the amino group of bacillithiol; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Eugeni Belda
Supplier Information
No supplier information found for this compound.
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Formula
C13H21N2O10S
Net Charge
-1
Average Mass
397.37800
Monoisotopic Mass
397.09224
InChI
InChI=1S/C13H22N2O10S/c14-
4(3-
26)
11(21)
15-
8-
10(20)
9(19)
6(2-
16)
25-
13(8)
24-
5(12(22)
23)
1-
7(17)
18/h4-
6,8-
10,13,16,19-
20,26H,1-
3,14H2,(H,15,21)
(H,17,18)
(H,22,23)
/p-
1/t4-
,5-
,6+,8+,9+,10+,13-
/m0/s1
InChIKey
UHNHELGKNQMNGF-AOQKXWSCSA-M
SMILES
[NH3+][C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing
bacillithiol(1−) (
CHEBI:64876
)
is a
carbohydrate acid derivative anion (
CHEBI:63551
)
bacillithiol(1−) (
CHEBI:64876
)
is conjugate base of
bacillithiol (
CHEBI:61338
)
Incoming
bacillithiol (
CHEBI:61338
)
is conjugate acid of
bacillithiol(1−) (
CHEBI:64876
)
IUPAC Name
(2
S
)-
2-
[(2-
{[(2
R
)-
2-
ammonio-
3-
sulfanylpropanoyl]amino}-
2-
deoxy-
α-
D
-
glucopyranosyl)oxy]butanedioate
Synonyms
Sources
bacillithiol
UniProt
BSH
SUBMITTER
Manual Xref
Database
CPD8J2-3
MetaCyc
View more database links
Last Modified
30 July 2012