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5'-Adenylic acid
SpectraBase Compound ID Ed0f1hvrRwQ
InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey UDMBCSSLTHHNCD-KQYNXXCUSA-N
Mol Weight 347.22 g/mol
Molecular Formula C10H14N5O7P
Exact Mass 347.063085 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A1WNVHhPJhz
Name AMP
Acquisition Mode SIMULTANEOUS
CAS Registry Number 162756-82-3 47286-65-7 47287-97-8 53624-78-5 61-19-8 67583-85-1
ChEBI ID 16027
Comments 100 mM AMP - Calzyme 41 103-05; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C10 H14 N5 O7 P
IUPAC Name [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid; [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid
InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey UDMBCSSLTHHNCD-KQYNXXCUSA-N
KEGG Compound ID C00020
KEGG Pathways PATH: map00230 Purine metabolism PATH: map04150 mTOR signaling pathway
PubChem Compound ID 6083
SMILES C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
Source File Reference bmse000005