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Adenosine
SpectraBase Compound ID Bd8zMd0lP9g
InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N
Mol Weight 267.25 g/mol
Molecular Formula C10H13N5O4
Exact Mass 267.096754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BlQlsxJFuhU
Name Adenosine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 46946-45-6 46969-16-8 58-61-7
ChEBI ID 16335
Comments saturated N/A adenosine - vendor: Sigma a9251; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10H13N5O4
IUPAC Name (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N
KEGG Compound ID C00212
KEGG Pathways PATH: map00230 Purine metabolism PATH: map04080 Neuroactive ligand-receptor interaction
PubChem Compound ID 60961
SMILES C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O
Source File Reference bmse000061