Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:147626 - β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc
ChEBI ID
CHEBI:147626
ChEBI ASCII Name
beta-D-Galp3S-(1->4)-D-GlcpNAc
Definition
An oligosaccharide sulfate consisting of 3-
O
-sulfo-β-
D
-galactopyranose and -2-acetamido-2-deoxy-
D
-glucopyranose residues joined by a (1→4) glycosidic bond.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Gareth Owen
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C14H25NO14S
Net Charge
0
Average Mass
463.410
Monoisotopic Mass
463.09958
InChI
InChI=1S/C14H25NO14S/c1-
4(18)
15-
7-
9(20)
11(6(3-
17)
26-
13(7)
22)
28-
14-
10(21)
12(29-
30(23,24)
25)
8(19)
5(2-
16)
27-
14/h5-
14,16-
17,19-
22H,2-
3H2,1H3,(H,15,18)
(H,23,24,25)
/t5-
,6-
,7-
,8+,9-
,10-
,11-
,12+,13?,14+/m1/s1
InChIKey
OBGZWGPQQVKGMA-KMJSDMRTSA-N
SMILES
S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc (
CHEBI:147626
)
has functional parent
β-
D
-Gal
p
-(1→4)-
D
-Glc
p
NAc (
CHEBI:60152
)
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc (
CHEBI:147626
)
has functional parent
3-
O
-sulfo-β-
D
-galactose (
CHEBI:65148
)
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc (
CHEBI:147626
)
has functional parent
N
-acetyl-
D
-glucosamine (
CHEBI:506227
)
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc (
CHEBI:147626
)
is a
acetamides (
CHEBI:22160
)
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc (
CHEBI:147626
)
is a
amino disaccharide (
CHEBI:22480
)
β-
D
-Gal
p
3S-(1→4)-
D
-Glc
p
NAc (
CHEBI:147626
)
is a
oligosaccharide sulfate (
CHEBI:37909
)
IUPAC Names
2-
acetamido-
2-
deoxy-
4-
O
-
(3-
O
-
sulfo-
β-
D
-
galactopyranosyl)-
D
-
glucopyranose
Gal3S(b1-4)GlcNAc
Synonyms
Sources
3-
O
-
sulfo-
β-
D
-
galacto
-
hexopyranosyl-
(1→4)-
2-
acetamido-
2-
deoxy-
D
-
gluco
-
hexopyranose
IUPAC
[(2
S
,3
R
,4
S
,5
S
,6
R
)-
2-
[(2
R
,3
S
,4
R
,5
R
)-
5-
acetamido-
4,6-
dihydroxy-
2-
(hydroxymethyl)oxan-
3-
yl]oxy-
3,5-
dihydroxy-
6-
(hydroxymethyl)oxan-
4-
yl] hydrogen sulfate
IUPAC
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
SUBMITTER
Manual Xrefs
Databases
G00842
KEGG GLYCAN
G11658OG
GlyTouCan
G11658OG
GlyGen
View more database links
Last Modified
05 May 2020