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> Main
CHEBI:85603 - 1-tuberculosinyladenosine(1+)
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ChEBI Name
1-tuberculosinyladenosine(1+)
ChEBI ID
CHEBI:85603
Definition
An organic cation that is adenosine alkylated at position N1 by a tuberculosinyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
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Formula
C30H46N5O4
Net Charge
+1
Average Mass
540.71680
Monoisotopic Mass
540.35443
InChI
InChI=1S/C30H45N5O4/c1-
18(10-
13-
30(5)
19(2)
8-
9-
20-
21(30)
7-
6-
12-
29(20,3)
4)
11-
14-
34-
16-
33-
27-
23(26(34)
31)
32-
17-
35(27)
28-
25(38)
24(37)
22(15-
36)
39-
28/h9,11,16-
17,19,21-
22,24-
25,28,31,36-
38H,6-
8,10,12-
15H2,1-
5H3/p+1/b18-
11+/t19-
,21+,22+,24+,25+,28+,30+/m0/s1
InChIKey
QPSHCYXDFVVWPO-WAHYGVONSA-O
SMILES
C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CC\C(C)=C\C[n+]1cnc2n(cnc2c1N)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Metabolite of Species
Details
Mycobacterium tuberculosis
(NCBI:txid1773)
See:
PubMed
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-tuberculosinyladenosine(1+) (
CHEBI:85603
)
has functional parent
adenosine (
CHEBI:16335
)
1-tuberculosinyladenosine(1+) (
CHEBI:85603
)
has functional parent
tuberculosinol (
CHEBI:50387
)
1-tuberculosinyladenosine(1+) (
CHEBI:85603
)
has role
bacterial metabolite (
CHEBI:76969
)
1-tuberculosinyladenosine(1+) (
CHEBI:85603
)
is a
organic cation (
CHEBI:25697
)
IUPAC Name
1-
{(2
E
)-
3-
methyl-
5-
[(1
R
,2
S
,8a
S
)-
1,2,5,5-
tetramethyl-
1,2,3,5,6,7,8,8a-
octahydronaphthalen-
1-
yl]pent-
2-
en-
1-
yl}adenosine
Synonyms
Sources
1-TbAd(1+)
SUBMITTER
1-tuberculosinyladenosine
UniProt
Citations
Types
Sources
24516143
PubMed citation
SUBMITTER
25910243
PubMed citation
Europe PMC
PMC4317673
PubMed Central citation
Europe PMC
Last Modified
03 June 2015