John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=eYnLIhG8Pn SpectraBase Spectrum ID=1j1EWvKt7lu

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N(6)-CARBOXYMETHYL-ADENOSINE-TRIPHOSPHATE
SpectraBase Compound ID eYnLIhG8Pn
InChI InChI=1S/C12H15N5O15P3/c18-6(19)1-13-10-7-11(15-3-14-10)17(4-16-7)12-9(21)8(20)5(30-12)2-29-34(25,26)32-35(27,28)31-33(22,23)24/h3-5,8-9,12,20-21H,1-2H2,(H,18,19)(H,13,14,15)(H,22,23,24)/t5-,8-,9-,12-/m1/s1
InChIKey YYFKTMATPYJNBE-JJNLEZRASA-N
Mol Weight 562.19 g/mol
Molecular Formula C12H15N5O15P3
Exact Mass 561.977755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j1EWvKt7lu
Name N(6)-CARBOXYMETHYL-ADENOSINE-TRIPHOSPHATE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N5O15P3
InChI InChI=1S/C12H15N5O15P3/c18-6(19)1-13-10-7-11(15-3-14-10)17(4-16-7)12-9(21)8(20)5(30-12)2-29-34(25,26)32-35(27,28)31-33(22,23)24/h3-5,8-9,12,20-21H,1-2H2,(H,18,19)(H,13,14,15)(H,22,23,24)/t5-,8-,9-,12-/m1/s1
InChIKey YYFKTMATPYJNBE-JJNLEZRASA-N
Literature Reference Author Y.YAMAZAKI,H.MAEDA
Literature Reference Citation AGR.BIOL.CHEM.,45,2631(1981)
Literature Reference DOI 10.1271/bbb1961.45.2631
Molecular Weight 561.189 g/mol
Solvent D2O
Source File Reference UWBT8496
SpectraBase Batch ID 5MNZeVX8V6g