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CHEBI:212586 - 2-Hydroxysorangiadenosine

Default Structure
ChEBI IDCHEBI:212586
ChEBI Name2-Hydroxysorangiadenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37N5O5
Net Charge0
Average Mass487.601
Monoisotopic Mass487.27947
SMILESC=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H]2C1
InChIInChI=1S/C25H37N5O5/c1-13(2)14-5-6-24(3)8-15(32)9-25(4,17(24)7-14)29-21-18-22(27-11-26-21)30(12-28-18)23-20(34)19(33)16(10-31)35-23/h11-12,14-17,19-20,23,31-34H,1,5-10H2,2-4H3,(H,26,27,29)/t14-,15-,16-,17-,19-,20-,23-,24+,25-/m1/s1
InChIKeyVMGXJYLNXQJWLG-QPUJKJSISA-N
Species of MetaboliteComponentSourceComments
Vitiosangium (ncbitaxon:1945896) - PubMed (32527018)
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxysorangiadenosine (CHEBI:212586) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
(2R,3R,4S,5R)-2-[6-[[(1R,3R,4aS,7R,8aR)-3-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol