EcoDrugPlus


Synonyms	Glyceryl trioleate Triolein
Status
Molecule Category	Free-form
UNII	O05EC62663
EPA CompTox	DTXSID3026988


InChI Key	PHYFQTYBJUILEZ-IUPFWZBJSA-N
Smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-

Property Name	Value
Molecular Formula	C57H104O6
Molecular Weight	885.45
AlogP	18.1
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	50.0
Polar Surface Area	78.9
Heavy Atoms	63.0

Resources	Reference
ChEBI	53753
ChEMBL	CHEMBL4297656
DrugBank	DB13038
FDA SRS	O05EC62663
Human Metabolome Database	HMDB0005453
PubChem	5497163
SureChEMBL	SCHEMBL23730
ZINC	ZINC000085545180

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...

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Last update: Monday, 3 November 2025

GLYCERYL TRIOLEATE

Structure

Physicochemical Descriptors

Related Entries

Cross References