EcoDrugPlus


Synonyms	Butyrin FEMA NO. 2223 NSC-661583 Tributyrin
Status
Molecule Category	Free-form
UNII	S05LZ624MF


InChI Key	UYXTWWCETRIEDR-UHFFFAOYSA-N
Smiles	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
InChI	InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3

Property Name	Value
Molecular Formula	C15H26O6
Molecular Weight	302.37
AlogP	2.38
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	11.0
Polar Surface Area	78.9
Heavy Atoms	21.0

Resources	Reference
ChEBI	35020
ChEMBL	CHEMBL118722
DrugBank	DB12709
FDA SRS	S05LZ624MF
Human Metabolome Database	HMDB0031094
KEGG	C13870
PDB	NTK
PubChem	6050
SureChEMBL	SCHEMBL23825
ZINC	ZINC000003860906

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TRIBUTYRIN

Structure

Physicochemical Descriptors

Related Entries

Cross References