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CHEBI:138848 - 5'-O-[{[(2R,4aR,5aR,6S,7R,8R,9S,9aS,10aS)-4a,7-dihydroxy-2-methyl-6,8-bis(methylamino)-4-oxodecahydro-2N-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]adenosine

ChEBI IDCHEBI:138848
ChEBI Name5'-O-[{[(2R,4aR,5aR,6S,7R,8R,9S,9aS,10aS)-4a,7-dihydroxy-2-methyl-6,8-bis(methylamino)-4-oxodecahydro-2N-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]adenosine
Stars
ASCII Name5'-O-[{[(2R,4aR,5aR,6S,7R,8R,9S,9aS,10aS)-4a,7-dihydroxy-2-methyl-6,8-bis(methylamino)-4-oxodecahydro-2N-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]adenosine
Last Modified10 March 2020
Submittermwilliams
DownloadsMolfile
FormulaC24H36N7O13P
Net Charge0
Average Mass661.562
Monoisotopic Mass661.21087
SMILES[H][C@]12O[C@H]3[C@H](O[C@@]1(O)C(=O)C[C@@H](C)O2)[C@@H](NC)[C@@H](O)[C@@H](NC)[C@@H]3OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1
InChIKeyYWELMMKQVLJFMW-QEYXCPIGSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-O-[{[(2R,4aR,5aR,6S,7R,8R,9S,9aS,10aS)-4a,7-dihydroxy-2-methyl-6,8-bis(methylamino)-4-oxodecahydro-2N-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]adenosine (CHEBI:138848) is a purine ribonucleoside monophosphate (CHEBI:26397)
5'-O-[{[(2R,4aR,5aR,6S,7R,8R,9S,9aS,10aS)-4a,7-dihydroxy-2-methyl-6,8-bis(methylamino)-4-oxodecahydro-2N-pyrano[2,3-b][1,4]benzodioxin-9-yl]oxy}(hydroxy)phosphoryl]adenosine (CHEBI:138848) is a pyranobenzodioxin (CHEBI:146295)
Synonym  Source
3''-AdenylylspectinomycinKEGG COMPOUND
Manual XrefsDatabases
C03580KEGG COMPOUND