EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	310RUQ1G0W
EPA CompTox	DTXSID0062921

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

310RUQ1G0W

EPA CompTox

DTXSID0062921


InChI Key	IEDOGKKOPNRRKW-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChI	InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h3-31H2,1-2H3

InChI Key

IEDOGKKOPNRRKW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h3-31H2,1-2H3

Property Name	Value
Molecular Formula	C32H64O2
Molecular Weight	480.49
AlogP	11.49
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	29.0
Polar Surface Area	26.3
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C32H64O2

Molecular Weight

480.49

AlogP

11.49

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

29.0

Polar Surface Area

26.3

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	3234-81-9
NORMAN SUSDAT
FDA SRS	310RUQ1G0W
PubChem	76711
ChemSpider	69169.0

Resources

Reference

CAS NUMBER

3234-81-9

NORMAN SUSDAT

FDA SRS

310RUQ1G0W

PubChem

76711

ChemSpider

69169.0

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...

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

Last update: Monday, 3 November 2025

TETRADECANOIC ACID, OCTADECYL ESTER

Structure

Physicochemical Descriptors

Cross References