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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:65145 - 3',4'-
O
-disulfo-
N
-acetyllactosamine
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ChEBI Name
3',4'-
O
-disulfo-
N
-acetyllactosamine
ChEBI ID
CHEBI:65145
ChEBI ASCII Name
3',4'-O-disulfo-N-acetyllactosamine
Definition
An amino disaccharide that consists of
N
-acetyl-β-
D
-glucosamine having a 3,4-di-
O
-sulfo-β-
D
-galactosyl residue attached at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H25NO17S2
Net Charge
0
Average Mass
543.47500
Monoisotopic Mass
543.05639
InChI
InChI=1S/C14H25NO17S2/c1-
4(18)
15-
7-
8(19)
10(5(2-
16)
28-
13(7)
21)
30-
14-
9(20)
12(32-
34(25,26)
27)
11(6(3-
17)
29-
14)
31-
33(22,23)
24/h5-
14,16-
17,19-
21H,2-
3H2,1H3,(H,15,18)
(H,22,23,24)
(H,25,26,27)
/t5-
,6-
,7-
,8-
,9-
,10-
,11+,12-
,13-
,14+/m1/s1
InChIKey
BDEAGLPLJHLHOI-HTOUAXGPSA-N
SMILES
CC(=O)
N[C@H]
1[C@H]
(O)
O[C@H]
(CO)
[C@@H]
(O[C@@H]
2O[C@H]
(CO)
[C@H]
(OS(O)
(=O)
=O)
[C@H]
(OS(O)
(=O)
=O)
[C@H]
2O)
[C@@H]
1O
Roles Classification
Biological Role
(s):
epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3',4'-
O
-disulfo-
N
-acetyllactosamine (
CHEBI:65145
)
has role
epitope (
CHEBI:53000
)
3',4'-
O
-disulfo-
N
-acetyllactosamine (
CHEBI:65145
)
is a
amino disaccharide (
CHEBI:22480
)
3',4'-
O
-disulfo-
N
-acetyllactosamine (
CHEBI:65145
)
is a
oligosaccharide sulfate (
CHEBI:37909
)
IUPAC Name
3,4-
di-
O
-
sulfo-
β-
D
-
galactopyranosyl-
(1→4)-
2-
acetamido-
2-
deoxy-
β-
D
-
glucopyranose
Synonyms
Sources
2-
acetamido-
2-
deoxy-
4-
O
-
(3,4-
di-
O
-
sulfo-
β-
D
-
galactopyranosyl)-
β-
D
-
glucopyranose
IUPAC
3,4-di-
O
-sulfo-β-
D
-Gal-(1→4)-β-
D
-GlcNAc
ChEBI
3,4-
di-
O
-
sulfo-
β-
D
-
galactosyl-
(1→4)-
2-
acetamido-
2-
deoxy-
β-
D
-
glucose
ChEBI
3,4-
di-
O
-
sulfo-
β-
D
-
galactosyl-
(1→4)-
N
-
acetyl-
β-
D
-
glucosamine
ChEBI
3,4-
di-
O
-
sulfo-
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
NAc
ChEBI
[3OSO3][4OSO3]Galβ-
D
1-4GlcNAcβ-
D
ChEBI
Citations
Types
Sources
19443021
PubMed citation
Europe PMC
31537530
PubMed citation
Europe PMC
Last Modified
19 February 2020