EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10208272

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10208272


InChI Key	NNSTUHMKYNCMHO-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC
InChI	InChI=1S/C34H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-28-29-37-30-31-38-32-33-39-34(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChI Key

NNSTUHMKYNCMHO-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C34H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-28-29-37-30-31-38-32-33-39-34(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

Property Name	Value
Molecular Formula	C34H68O5
Molecular Weight	556.51
AlogP	9.98
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	34.0
Polar Surface Area	53.99
Heavy Atoms	39.0

Property Name

Value

Molecular Formula

C34H68O5

Molecular Weight

556.51

AlogP

9.98

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

34.0

Polar Surface Area

53.99

Heavy Atoms

39.0

Resources	Reference
CAS NUMBER	59599-55-2
NORMAN SUSDAT
PubChem	101090
ChemSpider	84696.0

Resources

Reference

CAS NUMBER

59599-55-2

NORMAN SUSDAT

PubChem

101090

ChemSpider

84696.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-(2-(2-(TETRADECYLOXY)ETHOXY)ETHOXY)ETHYL MYRISTATE

Structure

Physicochemical Descriptors

Cross References