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alpha-D-Glucose-1-phosphate
SpectraBase Compound ID CEZOTFvYpJ6
InChI InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey HXXFSFRBOHSIMQ-VFUOTHLCSA-N
Mol Weight 260.13 g/mol
Molecular Formula C6H13O9P
Exact Mass 260.029719 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C0sVkHg0AE4
Name alpha-D-Glucose-1-phosphate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 27133-73-9 28875-57-2 29698-82-6 3616-38-4 50319-10-3 56401-20-8 59-56-3 6736-77-2 68901-12-2 6997-09-7 7279-37-0
Comments 100 mM alpha-d-glucose-1-phosphate disodium salt - vendor: Calzyme 8 1 34; 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 C6H13O9P
IUPAC Name [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid; [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid; [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid
InChI InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey HXXFSFRBOHSIMQ-VFUOTHLCSA-N
KEGG Compound ID C11450
PubChem Compound ID 65533
SMILES C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
Source File Reference bmse000086