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ChEBI
> Main
CHEBI:79171 - dTDP-β-
L
-rhodosamine
Main
ChEBI Ontology
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ChEBI Name
dTDP-β-
L
-rhodosamine
ChEBI ID
CHEBI:79171
ChEBI ASCII Name
dTDP-beta-L-rhodosamine
Definition
A dTDP-sugar having β-
L
-rhodosamine as the sugar component.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H31N3O13P2
Net Charge
0
Average Mass
559.39860
Monoisotopic Mass
559.13321
InChI
InChI=1S/C18H31N3O13P2/c1-
9-
7-
21(18(25)
19-
17(9)
24)
14-
6-
12(22)
13(32-
14)
8-
30-
35(26,27)
34-
36(28,29)
33-
15-
5-
11(20(3)
4)
16(23)
10(2)
31-
15/h7,10-
16,22-
23H,5-
6,8H2,1-
4H3,(H,26,27)
(H,28,29)
(H,19,24,25)
/t10-
,11-
,12-
,13+,14+,15+,16+/m0/s1
InChIKey
XPIWJCQKSXFPJI-WYVHVMBXSA-N
SMILES
C[C@@H]
1O[C@@H]
(C[C@@H]
([C@@H]
1O)
N(C)
C)
OP(O)
(=O)
OP(O)
(=O)
OC[C@H]
1O[C@H]
(C[C@@H]
1O)
n1cc(C)
c(=O)
[nH]
c1=O
ChEBI Ontology
Outgoing
dTDP-β-
L
-rhodosamine (
CHEBI:79171
)
is a
dTDP-sugar (
CHEBI:23557
)
dTDP-β-
L
-rhodosamine (
CHEBI:79171
)
is conjugate acid of
dTDP-β-
L
-rhodosamine(1−) (
CHEBI:78301
)
Incoming
dTDP-β-
L
-rhodosamine(1−) (
CHEBI:78301
)
is conjugate base of
dTDP-β-
L
-rhodosamine (
CHEBI:79171
)
IUPAC Name
thymidine 5'-
{3-
[2,3,6-
trideoxy-
3-
(dimethylamino)-
β-
L
-
lyxo
-
hexopyranosyl] dihydrogen diphosphate}
Synonyms
Sources
dTDP-2,3,6-trideoxy-3-(dimethylamino)-β-
L
-
lyxo
-hexopyranose
ChEBI
dTDP-L-rhodosamine
KEGG COMPOUND
thymidine 5'-(β-
L
-3-rhodosaminyl diphosphate)
ChEBI
Manual Xrefs
Databases
C18643
KEGG COMPOUND
CPD-15764
MetaCyc
View more database links
Registry Number
Type
Source
11218077
Reaxys Registry Number
Reaxys
Last Modified
14 April 2020