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CHEBI:211941 - N6-Tuberculosinyladenosine

Default Structure
ChEBI IDCHEBI:211941
ChEBI NameN6-Tuberculosinyladenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H45N5O4
Net Charge0
Average Mass539.721
Monoisotopic Mass539.34715
SMILESC/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC[C@@]1(C)[C@@H]2CCCC(C)(C)C2=CC[C@@H]1C
InChIInChI=1S/C30H45N5O4/c1-18(10-13-30(5)19(2)8-9-20-21(30)7-6-12-29(20,3)4)11-14-31-26-23-27(33-16-32-26)35(17-34-23)28-25(38)24(37)22(15-36)39-28/h9,11,16-17,19,21-22,24-25,28,36-38H,6-8,10,12-15H2,1-5H3,(H,31,32,33)/b18-11+/t19-,21+,22+,24+,25+,28+,30+/m0/s1
InChIKeyIOTASWRTCSBDHH-WAHYGVONSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - PubMed (25910243)
ChEBI Ontology
Outgoing Relation(s)
N6-Tuberculosinyladenosine (CHEBI:211941) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
(2R,3R,4S,5R)-2-[6-[[(E)-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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