GLYCERIN


Synonyms	E-422 E422 FEMA NO. 2525 Glycerin Glycerin,anhydrous Glycerinum Glycerol Glycerol 85% Glycerolum Glycogelatin INS NO.422 INS-422 Keybells M 314429 Monoctanoin Component D Monoctanoin component d NSC-9230 Nirolex Ophthalgan Optim Osmoglyn PZN 7474853 Senokot direct relief Tixylix baby Tixylix toddler Tryhydroxypropane Waterhouse
Status
Molecule Category	Free-form
UNII	PDC6A3C0OX
EPA CompTox	DTXSID9020663


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

Structure


InChI Key	PEDCQBHIVMGVHV-UHFFFAOYSA-N
Smiles	OCC(O)CO
InChI	InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H8O3
Molecular Weight	92.09
AlogP	-1.67
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	60.69
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 polyols	None	28.0 %

Cross References

Resources	Reference
ChEBI	17754
ChEMBL	CHEMBL692
DrugBank	DB09462
DrugCentral	1316
FDA SRS	PDC6A3C0OX
Human Metabolome Database	HMDB0000131
Guide to Pharmacology	5195
KEGG	C00116
PDB	GOL
PubChem	753
SureChEMBL	SCHEMBL797
ZINC	ZINC000000895048

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).