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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27784 - gentamycin C
1a
Main
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ChEBI Name
gentamycin C
1a
ChEBI ID
CHEBI:27784
ChEBI ASCII Name
gentamycin C1a
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:43706, CHEBI:5310, CHEBI:14295, CHEBI:24210
Supplier Information
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Formula
C19H39N5O7
Net Charge
0
Average Mass
449.54246
Monoisotopic Mass
449.28495
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/t8-
,9+,10-
,11+,12-
,13+,14+,15-
,16+,17+,18+,19-
/m0/s1
InChIKey
VEGXETMJINRLTH-BOZYPMBZSA-N
SMILES
CN[C@@H]
1[C@@H]
(O)
[C@H]
(OC[C@]
1(C)
O)
O[C@H]
1[C@H]
(N)
C[C@H]
(N)
[C@@H]
(O[C@H]
2O[C@H]
(CN)
CC[C@H]
2N)
[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
gentamycin C
1a
(
CHEBI:27784
)
is a
gentamycin C (
CHEBI:28417
)
gentamycin C
1a
(
CHEBI:27784
)
is conjugate base of
gentamycin C
1a
(5+) (
CHEBI:58530
)
Incoming
etimicin (
CHEBI:134705
)
has functional parent
gentamycin C
1a
(
CHEBI:27784
)
gentamycin C
1a
(5+) (
CHEBI:58530
)
is conjugate acid of
gentamycin C
1a
(
CHEBI:27784
)
IUPAC Name
(1
R
,2
S
,3
S
,4
R
,6
S
)-
4,6-
diamino-
3-
[3-
deoxy-
4-
C
-
methyl-
3-
(methylamino)-
β-
L
-
arabinopyranosyloxy]-
2-
hydroxycyclohexyl 2,6-
diamino-
2,3,4,6-
tetradeoxy-
α-
D
-
erythro
-
hexopyranoside
Synonyms
Sources
Gentamicin C1a
KEGG COMPOUND
Gentamycin C12
ChemIDplus
O-
3-
deoxy-
4-
C-
methyl-
3-
(methylamino)-
beta-
L-
arabinopyranosyl-
(1-
6)-
O-
(2,6-
diamino-
2,3,4,6-
tetradeoxy-
alpha-
D-
erythro-
hexopyranosyl-
(1-
4))-
2-
deoxy-
D-
streptamine
ChemIDplus
Manual Xrefs
Databases
C00908
KEGG COMPOUND
DB04729
DrugBank
View more database links
Registry Numbers
Types
Sources
26098-04-4
CAS Registry Number
KEGG COMPOUND
26098-04-4
CAS Registry Number
ChemIDplus
Last Modified
06 October 2020