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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52138 - 4-
O
-phosphohygromycin B
Main
ChEBI Ontology
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ChEBI Name
4-
O
-phosphohygromycin B
ChEBI ID
CHEBI:52138
ChEBI ASCII Name
4-O-phosphohygromycin B
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C20H38N3O16P
Net Charge
0
Average Mass
607.50000
Monoisotopic Mass
607.19897
InChI
InChI=1S/C20H38N3O16P/c1-
23-
7-
2-
5(21)
9(26)
15(14(7)
39-
40(31,32)
33)
35-
19-
17-
16(10(27)
8(4-
25)
34-
19)
37-
20(38-
17)
18(30)
12(29)
11(28)
13(36-
20)
6(22)
3-
24/h5-
19,23-
30H,2-
4,21-
22H2,1H3,(H2,31,32,33)
/t5-
,6?,7+,8-
,9+,10+,11-
,12+,13-
,14-
,15-
,16+,17+,18-
,19+,20-
/m1/s1
InChIKey
SYTZKXOAVUXHFS-DMVNDESQSA-N
SMILES
CN[C@H]
1C[C@@H]
(N)
[C@H]
(O)
[C@@H]
(O[C@@H]
2O[C@H]
(CO)
[C@H]
(O)
[C@@H]
3O[C@@]
4(O[C@H]
(C(N)
CO)
[C@H]
(O)
[C@H]
(O)
[C@H]
4O)
O[C@H]
23)
[C@@H]
1OP(O)
(O)
=O
ChEBI Ontology
Outgoing
4-
O
-phosphohygromycin B (
CHEBI:52138
)
has functional parent
hygromycin B (
CHEBI:16976
)
4-
O
-phosphohygromycin B (
CHEBI:52138
)
is a
aminoglycoside phosphate (
CHEBI:36974
)
4-
O
-phosphohygromycin B (
CHEBI:52138
)
is a
ortho ester (
CHEBI:71989
)
4-
O
-phosphohygromycin B (
CHEBI:52138
)
is conjugate base of
4-
O
-phosphohygromycin B(1+) (
CHEBI:59917
)
Incoming
4-
O
-phosphohygromycin B(1+) (
CHEBI:59917
)
is conjugate acid of
4-
O
-phosphohygromycin B (
CHEBI:52138
)
IUPAC Name
(1
R
,2
S
,3
R
,5
S
,6
R
)-
3-
amino-
2-
hydroxy-
5-
(methylamino)-
6-
(phosphonooxy)cyclohexyl
O
-
6-
amino-
6-
deoxy-
L
-
glycero
-
D
-
galacto
-
heptopyranosylidene-
(1→2-
3)-
β-
D
-
talopyranoside
Synonym
Source
4-
O
-phosphorylhygromycin B
ChEBI
Last Modified
01 February 2013