EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T54Y8H042V
EPA CompTox	DTXSID6025307

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T54Y8H042V

EPA CompTox

DTXSID6025307


InChI Key	JYYFMIOPGOFNPK-XSHSMGBESA-N
Smiles	CCOC(=O)CCCCCCCC=CCC=CCC=CCC
InChI	InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5+,9-8+,12-11+

InChI Key

JYYFMIOPGOFNPK-XSHSMGBESA-N

Smiles

CCOC(=O)CCCCCCCC=CCC=CCC=CCC

InChI

InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5+,9-8+,12-11+

Property Name	Value
Molecular Formula	C20H34O2
Molecular Weight	306.26
AlogP	6.14
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	26.3
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H34O2

Molecular Weight

306.26

AlogP

6.14

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

14.0

Polar Surface Area

26.3

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	1191-41-9
NORMAN SUSDAT
FDA SRS	T54Y8H042V
PubChem	6371716
ChemSpider	4899352.0

Resources

Reference

CAS NUMBER

1191-41-9

NORMAN SUSDAT

FDA SRS

T54Y8H042V

PubChem

6371716

ChemSpider

4899352.0

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, 3 November 2025

ETHYL LINOLENATE

Structure

Physicochemical Descriptors

Cross References