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
Supplier Information
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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-{(2E)-3-methyl-5-[(1R,2S,8aS)-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 Waiting for Citations Types Sources
24516143 PubMed citation SUBMITTER
25910243 PubMed citation Europe PMC
PMC4317673 PubMed Central citation Europe PMC
Last Modified
03 June 2015