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Inosine 5'-monophosphate
SpectraBase Compound ID ChM8He4PrM8
InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey GRSZFWQUAKGDAV-KQYNXXCUSA-N
Mol Weight 348.21 g/mol
Molecular Formula C10H13N4O8P
Exact Mass 348.0471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JqmUQcqDt7o
Name Inosine 5'-monophosphate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 131-99-7 138240-72-9 485-83-6
ChEBI ID 17202
Comments 100 mM Inosine 5'-monophosphate, disodium salt hydrate - vendor: Acros 226260050; 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 C10H13N4O8P
IUPAC Name [(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid; [(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid
InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey GRSZFWQUAKGDAV-KQYNXXCUSA-N
KEGG Compound ID C00130
KEGG Pathways PATH: map00230 Purine metabolism PATH: map04742 Taste transduction
PubChem Compound ID 8582
SMILES C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
Source File Reference bmse000175