EcoDrugPlus


Synonyms	13-docosenoin, tri-, (z,z,z)- Erucic acid triglyceride Erucin, tri- Glycerol trierucate Glyceryl trierucate Tri(z-13-docosenoyl)glycerol Trierucin
Status
Molecule Category	Free-form
UNII	I0IDQ0M20R
EPA CompTox	DTXSID401021942


InChI Key	XDSPGKDYYRNYJI-IUPFWZBJSA-N
Smiles	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChI	InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-

Property Name	Value
Molecular Formula	C69H128O6
Molecular Weight	1053.78

Resources	Reference
CAS NUMBER	2752-99-0
ChEMBL	CHEMBL4297655
DrugBank	DB12528
FDA SRS	I0IDQ0M20R
Human Metabolome Database	HMDB0051629
PubChem	5463075
SureChEMBL	SCHEMBL712083

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

GLYCERYL TRIERUCATE

Structure

Physicochemical Descriptors

Related Entries

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