bmse000144 Dihydroxyacetone at BMRB

Dihydroxyacetone

DIHYDROXY ACETONE; Oxantin; Glycerone; Viticolor; Dihydroxyacetone; Oxatone; 1,3-Dihydroxy-2-propanone; Soleal; 1,3-Dihydroxyacetone; 2-Propanone, 1,3-dihydroxy; Chromelin

Molecular Formula: C3 H6 O3
Natural Isotopic Abundance Mass: 90.0779400000
Mono-Isotopic Molecular Masses: C12N14: 90.0316940589; C13N14: 93.0417585723; C12N15: 90.0316940589; C13N15: 93.0417585723

Dihydroxyacetone

InCHi String:
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

isomeric and canonical SMILES:
C(C(=O)CO)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
1,3-dihydroxypropan-2-one

PubChem Substance (SID):   85164973   150342   3484
PubChem Compound (CID):   670
KEGG: Compound ID   C00184
CAS Registry IDs:   96-26-4
PDB Chemical Component   2HA
Miscellaneous Databases and IDs:   CHEBI 16016   Beilstein Handbook Reference 4-01-00-04119   CCRIS 4899   NSC 24343   EINECS 202-494-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.