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ChEBI
> Main
CHEBI:77315 - spectinomycin(2+)
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ChEBI Ontology
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ChEBI Name
spectinomycin(2+)
ChEBI ID
CHEBI:77315
Definition
An organic cation obtained by protonation of the secondary amino groups of spectinomycin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H26N2O7
Net Charge
+2
Average Mass
334.36430
Monoisotopic Mass
334.17290
InChI
InChI=1S/C14H24N2O7/c1-
5-
4-
6(17)
14(20)
13(21-
5)
22-
12-
10(19)
7(15-
2)
9(18)
8(16-
3)
11(12)
23-
14/h5,7-
13,15-
16,18-
20H,4H2,1-
3H3/p+2/t5-
,7-
,8+,9+,10+,11-
,12-
,13+,14+/m1/s1
InChIKey
UNFWWIHTNXNPBV-WXKVUWSESA-P
SMILES
C[NH2+][C@@H]1[C@H](O)[C@H]([NH2+]C)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
ChEBI Ontology
Outgoing
spectinomycin(2+) (
CHEBI:77315
)
is a
ammonium ion derivative (
CHEBI:35274
)
spectinomycin(2+) (
CHEBI:77315
)
is a
organic cation (
CHEBI:25697
)
spectinomycin(2+) (
CHEBI:77315
)
is conjugate acid of
spectinomycin (
CHEBI:9215
)
spectinomycin(2+) (
CHEBI:77315
)
is conjugate acid of
spectinomycin(1+) (
CHEBI:146260
)
Incoming
spectinomycin dihydrochloride (
CHEBI:9216
)
has part
spectinomycin(2+) (
CHEBI:77315
)
spectinomycin hydrochloride hydrate (
CHEBI:9217
)
has part
spectinomycin(2+) (
CHEBI:77315
)
spectinomycin (
CHEBI:9215
)
is conjugate base of
spectinomycin(2+) (
CHEBI:77315
)
spectinomycin(1+) (
CHEBI:146260
)
is conjugate base of
spectinomycin(2+) (
CHEBI:77315
)
IUPAC Name
(2
R
,4a
R
,5a
R
,6
S
,7
S
,8
R
,9
S
,9a
R
,10a
S
)-
4a,7,9-
trihydroxy-
N
,
N
',2-
trimethyl-
4-
oxodecahydro-
2
H
-
pyrano[2,3-
b
][1,4]benzodioxine-
6,8-
diaminium
Synonym
Source
spectinomycin dication
ChEBI
Last Modified
13 October 2014