| 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 |
