DIHYDROXYACETONE


Synonyms	Dihydroxyacetone FEMA NO. 4033 NSC-24343 Vitadye
Status
Molecule Category	Free-form
UNII	O10DDW6JOO


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	RXKJFZQQPQGTFL-UHFFFAOYSA-N
Smiles	O=C(CO)CO
InChI	InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H6O3
Molecular Weight	90.08
AlogP	-1.46
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	57.53
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	6.0

Assay Description	Organism	Bioactivity	Reference
Compound was tested for inhibition of Human acrosin by ketoses	None	15.0 %

Cross References

Resources	Reference
ChEBI	16016
ChEMBL	CHEMBL1229937
DrugBank	DB01775
FDA SRS	O10DDW6JOO
Human Metabolome Database	HMDB0001882
KEGG	C00184
PDB	2HA
PubChem	670
SureChEMBL	SCHEMBL70
ZINC	ZINC000084397769

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).