2-Methylthioribosyl-trans-zeatin

AlkaPlorer ID: AK057902

Synonym: 'trans-Methylthioribosylzeatin', '2-Methylthioribosylzeatin'

IUPAC Name: (2R,3R,4S,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol

Structure

SMILES: CSC1=NC(NC/C=C(\C)CO)=C2N=CN([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)C2=N1

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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

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InChIKey: QEWSGVMSLPHELX-QXFGELHOSA-N

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Properties Information

Molecule Weight: 397.4570000000001

TPSA: 145.78000000000003

MolLogP: -0.4898000000000005

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information