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2'-Deoxyadenosine-5'-monophosphate
SpectraBase Compound ID EYxQ5jjXjX3
InChI InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey KHWCHTKSEGGWEX-RRKCRQDMSA-N
Mol Weight 331.22 g/mol
Molecular Formula C10H14N5O6P
Exact Mass 331.06817 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASD5mJTnuFy
Name dAMP
Acquisition Mode SIMULTANEOUS
CAS Registry Number 653-63-4 75688-15-2 87578-08-3 29576-96-3 2922-74-9
ChEBI ID 17713
Comments Saturated 1 dAMP - Sigma D5875; 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 O6 P
IUPAC Name [(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid; [(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid
InChI InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey KHWCHTKSEGGWEX-RRKCRQDMSA-N
KEGG Compound ID C00360
KEGG Pathways PATH: map00230 Purine metabolism
PubChem Compound ID 12599
SMILES C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O
Source File Reference bmse000250