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Glyceraldehyde

PubChem CID: 751

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Compound Synonyms DL-Glyceraldehyde, glyceraldehyde, 2,3-Dihydroxypropanal, 56-82-6, Glyceric aldehyde, Glycerose, Propanal, 2,3-dihydroxy-, Glycerinaldehyde, Glycerinformal, 2,3-Dihydroxypropionaldehyde, 367-47-5, DL-GLYC, Aldotriose, (+/-)-Glyceraldehyde, alpha,beta-dihydroxypropionaldehyde, Glyceraldehyde, (+-)-, Propionaldehyde, 2,3-dihydroxy-, Glyceraldehyde, dl-, U 1188, DL-Glyceric aldehyde, gliceraldehido, NSC 67934, Glyceraldehyd, Glycerinaldehyd, Glyzerinaldehyd, delta-glycerose, delta-aldotriose, BRN 0635844, AI3-24475, UNII-DI19XSG16H, EINECS 200-290-0, EINECS 206-695-9, DI19XSG16H, D,L-glyceraldehyde, delta-Glyceraldehyde, .alpha.,.beta.-Dihydroxypropionaldehyde, CHEBI:5445, (+-)-glyceraldehyde, Dihydroxypropionaldehyde, delta-(+)-Glyceraldehyde, NSC-67934, DLG, DL-[1-13C]GLYCERALDEHYDE, GLYCERALDEHYDE [MI], delta-2,3-dihydroxypropanal, 2,3-dihydroxy-propionaldehyde, DL-[1-2H]glyceraldehyde, DL-[1,2,3,3'-2H4]GLYCERALDEHYDE, DTXSID90861586, (+/-)-2,3-dihydroxy-Propanal, delta-2,3-dihydroxypropionaldehyde, 3-01-00-03282 (Beilstein Handbook Reference), NSC67934, MFCD00064379, Propanal, 2,3-dihydroxy-, (.+/-.)-, 478529-62-3, D-(+)-Glyceraldehyde, (R)-2,3-Dihydroxy-propanal, aldose, aldotrioses, an aldose, DLGlyceraldehyde, Propanal, 2,3-dihydroxy-, (S)-, DLGlyceric aldehyde, Glyceraldehyde, DL, (3S,5R)-[(1H-1,2,4-Triazol-1-yl)-methyl-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl]methyl Isobutyrate, DLGLYC, Glyceraldehyde, (+), Propanal, 2,3-dihydroxy-, (+/-)-, Propanal,3-dihydroxy-, WLN: VHYQ1Q, 2,3-Dihydroxypropanal #, bmse000225, a,b-Dihydroxypropionaldehyde, Propionaldehyde,3-dihydroxy-, Glyceraldehyde, (.+/-.)-, CHEMBL173813, SGCUT00090, BDBM16241, CHEBI:15693, CHEBI:33914, DTXCID20220288, GLYCERALDEHYDE, (+/-)-, to_000052, DL-Glyceraldehyde, >=90% (GC), STL453543, AKOS015903493, FG29997, SB44379, SY076248, DB-051293, DB-051669, HY-128748, CS-0102543, NS00078855, NS00079891, C02154, E75815, A827816, Q423211, 0559E623-301F-4EC2-BF9D-01F20A1706FF, 2,3-Dihydroxypropanal, Glyceric aldehyde, alpha,beta-Dihydroxypropionaldehyde, 206-695-9, L-2,3-Dihydroxypropanal, L-2,3-Dihydroxypropionaldehyde, L-Aldotriose, L-(-)-Glyceraldehyde, L-Glycerose, (S)-2,3-Dihydroxy-propanal
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 57.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Np Classifier Class Monosaccharides
Deep Smiles OCC=O))CO
Heavy Atom Count 6.0
Pathway Kegg Map Id map00561
Classyfire Class Organooxygen compounds
Description Glyceraldehyde is a triose monosaccharide with chemical formula C3H6O3. It is the simplest of all common aldoses. It is a sweet colorless crystalline solid that is an intermediate compound in carbohydrate metabolism. The word comes from combining glycerine and aldehyde, as glyceraldehyde is merely glycerine with one hydroxide changed to an aldehyde. [HMDB]
Classyfire Subclass Carbohydrates and carbohydrate conjugates
Isotope Atom Count 0.0
Molecular Complexity 43.3
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id P14550, P04075, P09972, P05062, Q3LXA3
Uniprot Id P15121, P49189, P49419, P05091, P51648, P30837, P14550, P04075, P09972, P05062, Q3LXA3, O60218
Iupac Name 2,3-dihydroxypropanal
Prediction Hob 1.0
Class Carbohydrates and carbohydrate conjugates
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Target Id NPT41
Xlogp -1.6
Superclass Organooxygen compounds
Subclass Monosaccharides
Gsk 4 400 Rule True
Molecular Formula C3H6O3
Prediction Swissadme 0.0
Inchi Key MNQZXJOMYWMBOU-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Logs 0.627
Rotatable Bond Count 2.0
State Solid
Logd -1.771
Synonyms (+-)-Glyceraldehyde, (+/-)-2,3-dihydroxy-Propanal, (+/-)-Glyceraldehyde, 2,3-Dihydroxypropanal, 2,3-Dihydroxypropionaldehyde, a,b-Dihydroxypropionaldehyde, Aldotriose, alpha,beta-Dihydroxypropionaldehyde, D-(+)-Glyceraldehyde, D-2,3-dihydroxypropanal, D-2,3-dihydroxypropionaldehyde, D-aldotriose, D-Glyceraldehyde, D-glycerose, delta-(+)-Glyceraldehyde, delta-2,3-dihydroxypropanal, delta-2,3-dihydroxypropionaldehyde, delta-aldotriose, delta-Glyceraldehyde, delta-glycerose, Dihydroxypropionaldehyde, DL-Glyceraldehyde, Gliceraldehido, Glyceraldehyd, Glyceraldehyde, Glyceric aldehyde, Glycerinaldehyd, Glycerinaldehyde, Glycerinformal, Glycerose, Glyzerinaldehyd, α,β-dihydroxypropionaldehyde, Α,β-dihydroxypropionaldehyde, (+/-)-2,3-dihydroxy-propanal, (+/-)-glyceraldehyde, D-2,3-Dihydroxypropanal, D-2,3-Dihydroxypropionaldehyde, D-Aldotriose, D-Glycerose, delta-2,3-Dihydroxypropanal, delta-2,3-Dihydroxypropionaldehyde, delta-Aldotriose, delta-Glycerose, glyceraldehyde
Substituent Name Monosaccharide, Alpha-hydroxyaldehyde, Secondary alcohol, 1,2-diol, Hydrocarbon derivative, Short-chain aldehyde, Primary alcohol, Carbonyl group, Aldehyde, Alcohol, Aliphatic acyclic compound
Esol Class Highly soluble
Functional Groups CC=O, CO
Compound Name Glyceraldehyde
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
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol 0.7289164
Inchi InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
Smiles C(C(C=O)O)O
Nring 0.0
Np Classifier Biosynthetic Pathway Carbohydrates
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Monosaccharides
Np Classifier Superclass Saccharides

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