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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:65112 - butirosin A
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ChEBI Name
butirosin A
ChEBI ID
CHEBI:65112
Definition
A butirosin that consists of neamine in which is substituted at position 2 by a β-
D
-xylofuranosyl and at position 4 by an (
S
)-2-hydroxy-4-aminobutyryl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H41N5O12
Net Charge
0
Average Mass
555.57650
Monoisotopic Mass
555.27517
InChI
InChI=1S/C21H41N5O12/c22-
2-
1-
8(28)
19(34)
26-
7-
3-
6(24)
17(37-
20-
11(25)
15(32)
13(30)
9(4-
23)
35-
20)
18(12(7)
29)
38-
21-
16(33)
14(31)
10(5-
27)
36-
21/h6-
18,20-
21,27-
33H,1-
5,22-
25H2,(H,26,34)
/t6-
,7+,8-
,9+,10+,11+,12-
,13+,14-
,15+,16+,17+,18+,20+,21-
/m0/s1
InChIKey
XEQLFNPSYWZPOW-SVRMBHBBSA-N
SMILES
NCC[C@H]
(O)
C(=O)
N[C@@H]
1C[C@H]
(N)
[C@@H]
(O[C@H]
2O[C@H]
(CN)
[C@@H]
(O)
[C@H]
(O)
[C@H]
2N)
[C@H]
(O[C@@H]
2O[C@H]
(CO)
[C@H]
(O)
[C@H]
2O)
[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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
butirosin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
butirosin A (
CHEBI:65112
)
has functional parent
neamine (
CHEBI:7489
)
butirosin A (
CHEBI:65112
)
has role
antimicrobial agent (
CHEBI:33281
)
butirosin A (
CHEBI:65112
)
is a
butirosin (
CHEBI:65109
)
IUPAC Name
(2
S
)-
4-
amino-
N
-
[(1
R
,2
S
,3
R
,4
R
,5
S
)-
5-
amino-
4-
[(2,6-
diamino-
2,6-
dideoxy-
α-
D
-
glucopyranosyl)oxy]-
2-
hydroxy-
3-
(β-
D
-
xylofuranosyloxy)cyclohexyl]-
2-
hydroxybutanamide
Synonyms
Sources
Ambutyrosin A
ChEBI
Butyrosin A
ChEBI
Manual Xrefs
Databases
B31
PDBeChem
C17585
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1696155
Reaxys Registry Number
Reaxys
34291-02-6
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014