EcoDrugPlus


Synonyms	MAT-9001 MAT9001 Omega-3-pentaenoic acids
Status
Molecule Category	Free-form
UNII	317SQ4W8IJ

Synonyms

MAT-9001

MAT9001

Omega-3-pentaenoic acids

Status

Molecule Category

Free-form

UNII

317SQ4W8IJ


InChI Key	MSHVEAAKYBMOTM-VVUKEZRKSA-N
Smiles	CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O.CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O.CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O
InChI	InChI=1S/C22H34O2.C21H32O2.C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b3*4-3+,7-6+,10-9+,13-12+,16-15+

InChI Key

MSHVEAAKYBMOTM-VVUKEZRKSA-N

Smiles

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O.CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O.CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O

InChI

InChI=1S/C22H34O2.C21H32O2.C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b3*4-3+,7-6+,10-9+,13-12+,16-15+

Property Name	Value
Molecular Formula	C63H96O6
Molecular Weight	949.45

Property Name

Value

Molecular Formula

C63H96O6

Molecular Weight

949.45

Resources	Reference
ChEMBL	CHEMBL4650221
FDA SRS	317SQ4W8IJ

Resources

Reference

ChEMBL

CHEMBL4650221

FDA SRS

317SQ4W8IJ

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

OMEGA-3-PENTAENOIC ACIDS

Structure

Physicochemical Descriptors

Cross References