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ChEBI
> Main
CHEBI:58530 - gentamycin C
1a
(5+)
Main
ChEBI Ontology
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ChEBI Name
gentamycin C
1a
(5+)
ChEBI ID
CHEBI:58530
ChEBI ASCII Name
gentamycin C1a(5+)
Definition
Pentacation of gentamycin C
1a
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H44N5O7
Net Charge
+5
Average Mass
454.58200
Monoisotopic Mass
454.32133
InChI
InChI=1S/C19H39N5O7/c1-
19(27)
7-
28-
18(13(26)
16(19)
24-
2)
31-
15-
11(23)
5-
10(22)
14(12(15)
25)
30-
17-
9(21)
4-
3-
8(6-
20)
29-
17/h8-
18,24-
27H,3-
7,20-
23H2,1-
2H3/p+5/t8-
,9+,10-
,11+,12-
,13+,14+,15-
,16+,17+,18+,19-
/m0/s1
InChIKey
VEGXETMJINRLTH-BOZYPMBZSA-S
SMILES
C[NH2+]
[C@@H]
1[C@@H]
(O)
[C@H]
(OC[C@]
1(C)
O)
O[C@H]
1[C@H]
([NH3+]
)
C[C@H]
([NH3+]
)
[C@@H]
(O[C@H]
2O[C@H]
(C[NH3+]
)
CC[C@H]
2[NH3+]
)
[C@@H]
1O
ChEBI Ontology
Outgoing
gentamycin C
1a
(5+) (
CHEBI:58530
)
is a
ammonium ion derivative (
CHEBI:35274
)
gentamycin C
1a
(5+) (
CHEBI:58530
)
is conjugate acid of
gentamycin C
1a
(
CHEBI:27784
)
Incoming
gentamycin C
1a
(
CHEBI:27784
)
is conjugate base of
gentamycin C
1a
(5+) (
CHEBI:58530
)
IUPAC Name
(1
R
,2
S
,3
S
,4
R
,6
S
)-
4,6-
diammmonio-
3-
[3-
deoxy-
4-
C
-
methyl-
3-
(methylammonio)-
β-
L
-
arabinopyranosyloxy]-
2-
hydroxycyclohexyl 2,6-
diamino-
2,3,4,6-
tetradeoxy-
α-
D
-
erythro
-
hexopyranoside
Synonym
Source
gentamicin C
1a
UniProt
Last Modified
13 November 2017