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:62053 - α-
D
-
Gal-
(1→3)-
β-
D
-
Gal-
(1→4)-
β-
D
-
GlcOBn
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
α-
D
-
Gal-
(1→3)-
β-
D
-
Gal-
(1→4)-
β-
D
-
GlcOBn
ChEBI ID
CHEBI:62053
ChEBI ASCII Name
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcOBn
Definition
A trisaccharide derivative that is the benzyl glycoside of α-
D
-Gal-(1→3)-β-
D
-Gal-(1→4)-β-
D
-Glc.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C25H38O16
Net Charge
0
Average Mass
594.55960
Monoisotopic Mass
594.21599
InChI
InChI=1S/C25H38O16/c26-
6-
11-
14(29)
16(31)
18(33)
24(37-
11)
41-
22-
15(30)
12(7-
27)
38-
25(20(22)
35)
40-
21-
13(8-
28)
39-
23(19(34)
17(21)
32)
36-
9-
10-
4-
2-
1-
3-
5-
10/h1-
5,11-
35H,6-
9H2/t11-
,12-
,13-
,14+,15+,16+,17-
,18-
,19-
,20-
,21-
,22+,23-
,24-
,25+/m1/s1
InChIKey
DBDMBUCEVVLURG-PVPAYKMISA-N
SMILES
OC[C@H]
1O[C@H]
(O[C@H]
2[C@@H]
(O)
[C@@H]
(CO)
O[C@@H]
(O[C@@H]
3[C@@H]
(CO)
O[C@@H]
(OCc4ccccc4)
[C@H]
(O)
[C@H]
3O)
[C@@H]
2O)
[C@H]
(O)
[C@@H]
(O)
[C@H]
1O
ChEBI Ontology
Outgoing
α-
D
-
Gal-
(1→3)-
β-
D
-
Gal-
(1→4)-
β-
D
-
GlcOBn (
CHEBI:62053
)
is a
β-
D
-glucoside (
CHEBI:22798
)
α-
D
-
Gal-
(1→3)-
β-
D
-
Gal-
(1→4)-
β-
D
-
GlcOBn (
CHEBI:62053
)
is a
trisaccharide derivative (
CHEBI:63571
)
IUPAC Name
benzyl α-
D
-
galactopyranosyl-
(1→3)-
β-
D
-
galactopyranosyl-
(1→4)-
β-
D
-
glucopyranoside
Synonym
Source
α-
D
-
Gal
p
-
(1→3)-
β-
D
-
Gal
p
-
(1→4)-
β-
D
-
Glc
p
OBn
JCBN
Registry Number
Type
Source
8888508
Reaxys Registry Number
Reaxys
Citation
Type
Source
12151204
PubMed citation
Europe PMC
Last Modified
12 January 2012