Glyoxal
PubChem CID: 7860
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| Compound Synonyms | GLYOXAL, 107-22-2, Ethanedial, Oxalaldehyde, oxaldehyde, 1,2-Ethanedione, Biformyl, Diformyl, Glyoxylaldehyde, Biformal, Diformal, Oxal, Aerotex glyoxal 40, Glyoxal aldehyde, Ethanedione, CCRIS 952, Ethandial, HSDB 497, DTXSID5025364, Glyoxal, 29.2%, EINECS 203-474-9, ethane-1,2-dial, UNII-50NP6JJ975, BRN 1732463, CHEBI:34779, AI3-24108, 50NP6JJ975, MFCD00006957, DTXCID505364, EC 203-474-9, 4-01-00-03625 (Beilstein Handbook Reference), NCGC00091228-01, GLYOXAL (MART.), GLYOXAL [MART.], Glyoxal, 40%, Glyoxal (5% in 250mL in H2O), CAS-107-22-2, Ethane-1,2-dione, ODIX, Glyoxal (40% w/w in H2O) (Technical Grade), Glyoxal, 40% in water, ethane dial, (oxo)acetaldehyde, Protectol GL 40, glyoxal (ethanedial), oxalic acid dihydride, hydroxymethylene ketone, GOHSEZAL P, GLYOXAL [HSDB], GLYOXAL [MI], PERMAFRESH 114, GLYOXAL [WHO-DD], DAICEL GY 60, GLYFIX CS 50, BIDD:ER0284, (CHO)2, GLYOXAL, 40% SOLUTION, Glyoxal, Biformyl, Oxalaldehyde, CHEMBL1606435, Glyoxal, 40% w/w aq. soln., STR01281, Tox21_111105, Tox21_202517, BBL011519, NSC262684, STL146635, AKOS000119169, NSC-262684, NCGC00260066-01, 63986-13-0, G0152, NS00003526, EN300-19156, Q413465, F2191-0152, 203-474-9 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 4.0 |
| Description | Glyoxal, also known as 1,2-ethanedione or oxalaldehyde, is a member of the class of compounds known as short-chain aldehydes. Short-chain aldehydes are an aldehyde with a chain length containing between 2 and 5 carbon atoms. Glyoxal is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Glyoxal can be found in garden tomato (variety), ginger, and sesame, which makes glyoxal a potential biomarker for the consumption of these food products. Glyoxal is an organic compound with the chemical formula OCHCHO. It is a yellow-colored liquid that evaporates to give a green-colored gas. Glyoxal is the smallest dialdehyde (two aldehyde groups). Its structure is more complicated than typically represented because the molecule hydrates and oligomerizes. It is produced industrially as a precursor to many products . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 25.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, Q16236, P10145 |
| Iupac Name | oxaldehyde |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Target Id | NPT94 |
| Xlogp | -0.4 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Molecular Formula | C2H2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEQAOMBKQFMDFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | 0.489 |
| Rotatable Bond Count | 1.0 |
| State | liquid |
| Logd | -1.325 |
| Synonyms | (CHO)2, 1,2-Ethanedione, Aerotex glyoxal 40, Biformal, Biformyl, Diformal, Diformyl, Ethandial, Ethane-1,2-dione, Ethanedial, Ethanedial, trimer, Ethanediol, trimer, Ethanedione, Gelatins, reaction products with glyoxal, oxidized, Gelifundol, Glyoxal aldehyde, Glyoxal, 29.2%, GLYOXAL, 40%, GLYOXAL, 76%, POWDER (TRIMER), Glyoxal, biformyl, oxalaldehyde, Glyoxylaldehyde, ODIX, OXAL, Oxalaldehyde, Oxypolygelatin, Oxypolygelatine, Protectol GL 40, Ethane-1,2-dial, Oxal |
| Compound Name | Glyoxal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 58.0055 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 58.0055 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 58.04 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.10557679999999997 |
| Inchi | InChI=1S/C2H2O2/c3-1-2-4/h1-2H |
| Smiles | C(=O)C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Short-chain aldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Kansuensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all