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Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-
SpectraBase Compound ID CseSPb5AQWI
InChI InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3+/t9-,11-,12-,15-/m1/s1
InChIKey QEWSGVMSLPHELX-LECLTHIMSA-N
Mol Weight 397.45 g/mol
Molecular Formula C16H23N5O5S
Exact Mass 397.14199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pi2BhnAwPc
Name Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-
Alternate Name(s) (2R,3R,4S,5R)-2-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-(methylthio)-9-purinyl]oxolane-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol 2-Methylthio-cis-ribozeatin 2-Methylthio-N(6)-(4-hydroxyisopentenyl)adenosine 2-Methylthioribosylzeatin 2-Methylthiozeatin riboside N(6)-(4-hydroxyisopentenyl)-2-methylthioadenosine
CAS Registry Number 26190-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N5O5S
InChI InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3+/t9-,11-,12-,15-/m1/s1
InChIKey QEWSGVMSLPHELX-LECLTHIMSA-N
Molecular Weight 397.450 g/mol
SMILES N(c1c2c([n]([C@]3([C@@]([C@@]([C@](O3)(CO)[H])(O)[H])(O)[H])[H])cn2)nc(n1)SC)C\C=C\(CO)C
SPLASH splash10-001j-0890000000-f13ca32d7a1c2ec19529
Source of Spectrum D-9-1871-4
Wiley ID 1367862