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L-malic acid
SpectraBase Compound ID 4KaMZQR1e0z
InChI InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey BJEPYKJPYRNKOW-REOHCLBHSA-N
Mol Weight 134.09 g/mol
Molecular Formula C4H6O5
Exact Mass 134.021523 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DOLTuhs8MKD
Name L-Malic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 97-67-6
ChEBI ID 30797
Comments 100 mM l-malic acid - vendor: Mann 3465; 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 C4H6O5
IUPAC Name (2S)-2-hydroxysuccinic acid; (2S)-2-hydroxybutanedioic acid
InChI InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey BJEPYKJPYRNKOW-REOHCLBHSA-N
KEGG Compound ID C00149
KEGG Pathways PATH: map00020 Citrate cycle (TCA cycle) PATH: map00251 Glutamate metabolism PATH: map00252 Alanine and aspartate metabolism PATH: map00620 Pyruvate metabolism PATH: map00630 Glyoxylate and dicarboxylate metabolism PATH: map00710 Carbon fixation PATH: map00720 Reductive carboxylate cycle (CO2 fixation) PATH: map05211 Renal cell carcinoma
PubChem Compound ID 222656
SMILES C(C(C(=O)O)O)C(=O)O
Source File Reference bmse000238