EcoDrugPlus


Molecule Category	Salt-form
UNII	3979UH4J7X
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Molecule Category

Salt-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	ZKZMJOFIHHZSRW-UHFFFAOYSA-K
Smiles	[Al+3].CCOP(=O)[O-].CCOP(=O)[O-].CCOP(=O)[O-]
InChI	InChI=1S/3C2H7O3P.Al/c31-2-5-6(3)4;/h36H,2H2,1H3,(H,3,4);/q;;;+3/p-3

InChI Key

ZKZMJOFIHHZSRW-UHFFFAOYSA-K

Smiles

[Al+3].CCOP(=O)[O-].CCOP(=O)[O-].CCOP(=O)[O-]

InChI

InChI=1S/3C2H7O3P.Al/c3*1-2-5-6(3)4;/h3*6H,2H2,1H3,(H,3,4);/q;;;+3/p-3

Property Name	Value
Molecular Formula	C6H18AlO9P3
Molecular Weight	354.1

Property Name

Value

Molecular Formula

C6H18AlO9P3

Molecular Weight

354.1

Resources	Reference
ChEMBL	CHEMBL2251448
FDA SRS	3979UH4J7X
SureChEMBL	SCHEMBL21142

Resources

Reference

ChEMBL

CHEMBL2251448

FDA SRS

3979UH4J7X

SureChEMBL

SCHEMBL21142

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

ALUMINIUM TRIS[O-ETHYLPHOSPHONATE]

Structure

Physicochemical Descriptors

Cross References