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:72769 - 2'-oxokanamycin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2'-oxokanamycin
ChEBI ID
CHEBI:72769
Definition
A kanamycin obtained by dehydrogenation at position 2' of kanamycin A.
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
C18H34N4O11
Net Charge
0
Average Mass
482.48280
Monoisotopic Mass
482.22241
InChI
InChI=1S/C18H34N4O11/c19-
2-
6-
10(25)
12(27)
13(28)
18(30-
6)
33-
16-
5(21)
1-
4(20)
15(14(16)
29)
32-
17-
11(26)
8(22)
9(24)
7(3-
23)
31-
17/h4-
12,14-
18,23-
27,29H,1-
3,19-
22H2/t4-
,5+,6-
,7-
,8+,9-
,10-
,11-
,12+,14-
,15+,16-
,17-
,18-
/m1/s1
InChIKey
FQALWUBUOWECTR-WSWRBCCJSA-N
SMILES
NC[C@H]
1O[C@H]
(O[C@@H]
2[C@@H]
(N)
C[C@@H]
(N)
[C@H]
(O[C@H]
3O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(N)
[C@H]
3O)
[C@H]
2O)
C(=O)
[C@@H]
(O)
[C@@H]
1O
Roles Classification
Biological Role
(s):
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
carbohydrate-containing antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2'-oxokanamycin (
CHEBI:72769
)
has functional parent
kanamycin A (
CHEBI:17630
)
2'-oxokanamycin (
CHEBI:72769
)
is a
kanamycins (
CHEBI:24951
)
2'-oxokanamycin (
CHEBI:72769
)
is conjugate base of
2'-oxokanamycin(4+) (
CHEBI:72757
)
Incoming
2'-oxokanamycin(4+) (
CHEBI:72757
)
is conjugate acid of
2'-oxokanamycin (
CHEBI:72769
)
IUPAC Name
(1
S
,2
R
,3
R
,4
S
,6
R
)-
4,6-
diamino-
3-
[(6-
amino-
6-
deoxy-
α-
D
-
arabino
-
hexopyranosyl-
2-
ulose)oxy]-
2-
hydroxycyclohexyl 3-
amino-
3-
deoxy-
α-
D
-
glucopyranoside
Synonyms
Sources
2'-dehydrokanamycin A
ChEBI
2'-ketokanamycin
ChEBI
Registry Number
Type
Source
22604553
Reaxys Registry Number
Reaxys
Citation
Type
Source
22374809
PubMed citation
Europe PMC
Last Modified
14 March 2013