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L-Ascorbate
SpectraBase Compound ID BOmX8vhHkUS
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m0/s1
InChIKey TYQCGQRIZGCHNB-JLAZNSOCSA-N
Mol Weight 176.12 g/mol
Molecular Formula C6H8O6
Exact Mass 176.032088 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GP6OZyy8aA0
Name L-Ascorbate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 129940-97-2 134-03-2 14536-17-5 30208-61-8 50-81-7 50976-75-5 56172-55-5 56533-05-2 57304-74-2 57606-40-3 89924-69-6
ChEBI ID 17208
Comments 100 mM (+)-Sodium L-ascorbate - vendor: Sigma; 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 C6 H8 O6
IUPAC Name (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m0/s1
InChIKey TYQCGQRIZGCHNB-JLAZNSOCSA-N
KEGG Compound ID C00072
KEGG Pathways PATH: map00053 Ascorbate and aldarate metabolism PATH: map02060 Phosphotransferase system (PTS)
PubChem Compound ID 5785
SMILES C(C(C1C(=O)C(=C(O1)O)O)O)O
Source File Reference bmse000182