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ChEBI
> Main
CHEBI:63022 - β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
-
SC
6
H
4
-
p
-
NH
2
Main
ChEBI Ontology
Automatic Xrefs
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Pathways
Models
ChEBI Name
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
-
SC
6
H
4
-
p
-
NH
2
ChEBI ID
CHEBI:63022
ChEBI ASCII Name
beta-D-Galp-(1->4)-beta-D-Glcp-SC6H4-p-NH2
Definition
An
S
-glycosyl compound that consists of 4-aminothiophenol having a β-lactosyl moiety attached to the sulfur via a thioglycosidic bond.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H27NO10S
Net Charge
0
Average Mass
449.47300
Monoisotopic Mass
449.13557
InChI
InChI=1S/C18H27NO10S/c19-
7-
1-
3-
8(4-
2-
7)
30-
18-
15(26)
13(24)
16(10(6-
21)
28-
18)
29-
17-
14(25)
12(23)
11(22)
9(5-
20)
27-
17/h1-
4,9-
18,20-
26H,5-
6,19H2/t9-
,10-
,11+,12+,13-
,14-
,15-
,16-
,17+,18+/m1/s1
InChIKey
RIQWCPMDWZXHSW-XZILNXCWSA-N
SMILES
Nc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
ChEBI Ontology
Outgoing
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
-
SC
6
H
4
-
p
-
NH
2
(
CHEBI:63022
)
has functional parent
β-lactose (
CHEBI:36218
)
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
-
SC
6
H
4
-
p
-
NH
2
(
CHEBI:63022
)
is a
S
-glycosyl compound (
CHEBI:35275
)
IUPAC Name
4-
aminophenyl β-
D
-
galactopyranosyl-
(1→4)-
1-
thio-
β-
D
-
glucopyranoside
Synonyms
Sources
4-
aminophenyl 4-
O
-
β-
D
-
galactopyranosyl-
1-
thio-
β-
D
-
glucopyranoside
IUPAC
4-
aminophenyl β-
D
-
galactosyl-
(1→4)-
1-
thio-
β-
D
-
glucoside
ChEBI
β-
D
-
Gal-
(1→4)-
β-
D
-
Glc-
SC
6
H
4
-
4-
NH
2
ChEBI
β-
D
-
Gal-
(1→4)-
β-
D
-
Glc-
SC
6
H
4
-
p
-
NH
2
ChEBI
β-
D
-
Gal-
(1→4)-
β-
D
-
Glc-
SC
6
H
4
NH
2
ChEBI
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
-
SC
6
H
4
-
4-
NH
2
ChEBI
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
-
SC
6
H
4
NH
2
ChEBI
Galβ1-
4Glcβ-
SC
6
H
4
-
p
-
NH
2
ChEBI
Citation
Type
Source
2456994
PubMed citation
Europe PMC
Last Modified
06 October 2011