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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:148005 - β-
D
-Gal
p
-(1→4)-β-
D
-Glc
p
NAc6
S
Main
ChEBI Ontology
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ChEBI Name
β-
D
-Gal
p
-(1→4)-β-
D
-Glc
p
NAc6
S
ChEBI ID
CHEBI:148005
ChEBI ASCII Name
beta-D-Galp-(1->4)-beta-D-GlcpNAc6S
Definition
An oligosaccharide sulfate that is
N
-acetyllactosamine in which the hydroxy group at position 6 of the
N
-acetylglucosamine ring has been converted into its hydrogen sulfate derivative.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Gareth Owen
Supplier Information
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Molfile
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Molfile
Formula
C14H25NO14S
Net Charge
0
Average Mass
463.410
Monoisotopic Mass
463.09958
InChI
InChI=1S/C14H25NO14S/c1-
4(17)
15-
7-
9(19)
12(6(27-
13(7)
22)
3-
26-
30(23,24)
25)
29-
14-
11(21)
10(20)
8(18)
5(2-
16)
28-
14/h5-
14,16,18-
22H,2-
3H2,1H3,(H,15,17)
(H,23,24,25)
/t5-
,6-
,7-
,8+,9-
,10+,11-
,12-
,13-
,14+/m1/s1
InChIKey
NTMMYALXQBBJDF-LODBTCKLSA-N
SMILES
S(OC[C@H]
1O[C@@H]
(O)
[C@H]
(NC(=O)
C)
[C@@H]
(O)
[C@@H]
1O[C@@H]
2O[C@@H]
([C@H]
(O)
[C@H]
(O)
[C@H]
2O)
CO)
(O)
(=O)
=O
ChEBI Ontology
Outgoing
β-
D
-Gal
p
-(1→4)-β-
D
-Glc
p
NAc6
S
(
CHEBI:148005
)
has functional parent
N
-acetyllactosamine (
CHEBI:16153
)
β-
D
-Gal
p
-(1→4)-β-
D
-Glc
p
NAc6
S
(
CHEBI:148005
)
is a
acetamides (
CHEBI:22160
)
β-
D
-Gal
p
-(1→4)-β-
D
-Glc
p
NAc6
S
(
CHEBI:148005
)
is a
amino disaccharide (
CHEBI:22480
)
β-
D
-Gal
p
-(1→4)-β-
D
-Glc
p
NAc6
S
(
CHEBI:148005
)
is a
oligosaccharide sulfate (
CHEBI:37909
)
IUPAC Names
2-
acetamido-
2-
deoxy-
4-
O
-
β-
D
-
galactopyranosyl-
6-
O
-
sulfo-
β-
D
-
glucopyranose
Gal(b1-4)b-GlcNAc6S
Synonyms
Sources
6-Sulfo LacNAc
ChEBI
[(2
R
,3
S
,4
R
,5
R
,6
R
)-
5-
acetamido-
4,6-
dihydroxy-
3-
[(2
S
,3
R
,4
S
,5
R
,6
R
)-
3,4,5-
trihydroxy-
6-
(hydroxymethyl)oxan-
2-
yl]oxyoxan-
2-
yl]methyl hydrogen sulfate
IUPAC
β-
D
-
galacto
-
hexopyranosyl-
(1→4)-
2-
acetamido-
2-
deoxy-
6-
O
-
sulfo-
β-
D
-
gluco
-
hexopyranose
IUPAC
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5]/1-2/a4-b1
SUBMITTER
Manual Xrefs
Databases
G13157WZ
GlyGen
G13157WZ
GlyTouCan
View more database links
Citation
Type
Source
12354382
PubMed citation
Europe PMC
Last Modified
17 November 2021