Dihydroxyacetone
PubChem CID: 670
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| Compound Synonyms | 1,3-dihydroxyacetone, Dihydroxyacetone, 96-26-4, 1,3-Dihydroxypropan-2-one, 1,3-Dihydroxy-2-propanone, glycerone, Chromelin, Viticolor, Dihyxal, Oxantin, Oxatone, Triulose, Soleal, Otan, 2-Propanone, 1,3-dihydroxy-, 1,3-Dihydroxypropanone, 1,3-Dihydroxydimethyl ketone, Vitadye, NSC-24343, dihydroxy-acetone, Bis(hydroxymethyl) ketone, 2-Propanone, 1,3-dihydroxy, Ketochromin, CCRIS 4899, BRN 1740268, UNII-O10DDW6JOO, O10DDW6JOO, AI3-24477, EINECS 202-494-5, MFCD00004670, FEMA NO. 4033, CHEBI:16016, HSDB 7513, Dihydroxyacetone [USP], 1,3-propanediol-2-one, alpha,alpha'-dihydroxyacetone, DTXSID0025072, EC 202-494-5, 4-01-00-04119 (Beilstein Handbook Reference), Dihydroxyacetone (USP), DIHYDROXYACETONE (MART.), DIHYDROXYACETONE [MART.], DIHYDROXYACETONE (USP-RS), DIHYDROXYACETONE [USP-RS], DIHYDROXYACETONE (USP MONOGRAPH), DIHYDROXYACETONE [USP MONOGRAPH], 1,3 Dihydroxy 2 Propanone, Protosol, Aliphatic ketone, Dihydroxypropanone, Glycerone, DHA, Chromelin (TN), 1,3-Dihydroxyaceton, 1.3-dihydroxyacetone, a,a'-Dihydroxyacetone, 1,3-dihyroxy-acetone, 1,3-dihydroxy-acetone, DIHYDROXY ACETONE, 2-Propanone,3-dihydroxy-, bmse000144, DIHYDROXYACETONE [MI], 1, 3-dihydroxypropan-2-one, 1,3-Dihydroxyacetone (DHA), DIHYDROXYACETONE [FHFI], DIHYDROXYACETONE [HSDB], DTXCID405072, DIHYDROXYACETONE [VANDF], CHEMBL1229937, HY-Y0335R, 1,3-Dihydroxyacetone (Standard), DIHYDROXYACETONE [WHO-DD], HY-Y0335, NSC24343, AKOS005259385, CS-W019614, DB01775, FD07750, GS-3764, SB83769, DA-69392, SY038299, D5818, NS00004299, C00184, D07841, EN300-121747, S12381, Q409618, BRD-K18637542-001-01-7, F0001-2767, Z1255442144, 08CB5E10-C843-45EE-8556-4313C8E0BEA2, InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H, 202-494-5 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Description | Dihydroxyacetone, also known as 1,3-dihydroxy-2-propanone or glycerone, is a member of the class of compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Dihydroxyacetone is soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydroxyacetone can be found in a number of food items such as cauliflower, green bell pepper, black cabbage, and sweet basil, which makes dihydroxyacetone a potential biomarker for the consumption of these food products. Dihydroxyacetone can be found primarily in urine, as well as in human muscle and stratum corneum tissues. Dihydroxyacetone exists in all living species, ranging from bacteria to humans. Dihydroxyacetone is primarily used as an ingredient in sunless tanning products. It is often derived from plant sources such as sugar beets and sugar cane, and by the fermentation of glycerin . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05187, P09923, P05186, P10696, Q3LXA3, P10323, n.a. |
| Iupac Name | 1,3-dihydroxypropan-2-one |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | -1.4 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C3H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXKJFZQQPQGTFL-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.627 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -1.771 |
| Synonyms | 1,3-Dihydroxy-2-propanone, 1,3-Dihydroxyacetone, 1,3-Dihydroxydimethyl ketone, 1,3-Dihydroxypropan-2-one, 1,3-Dihydroxypropanone, 1,3-Propanediol-2-one, alpha,Alpha'-dihydroxyacetone, Bis(hydroxymethyl) ketone, DHA, Glycerone, Chromelin, a,Alpha'-dihydroxyacetone, Α,alpha'-dihydroxyacetone, a,A'-dihydroxyacetone, Aliphatic ketone, Dihydroxy-acetone, Dihyxal, Ketochromin, Otan, Oxantin, Oxatone, Protosol, Soleal, Triulose, Viticolor, 1,3 Dihydroxy 2 propanone, Summers brand OF dihydroxyacetone, ICN brand OF dihydroxyacetone, Vitadye |
| Compound Name | Dihydroxyacetone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0317 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0317 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 90.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.5903164000000002 |
| Inchi | InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 |
| Smiles | C(C(=O)CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Monosaccharides |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all