EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2T78N654V7
EPA CompTox	DTXSID9067691

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2T78N654V7

EPA CompTox

DTXSID9067691


InChI Key	KBODESQIOVVMAI-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC
InChI	InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h3-27H2,1-2H3

InChI Key

KBODESQIOVVMAI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC

InChI

InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h3-27H2,1-2H3

Property Name	Value
Molecular Formula	C28H56O2
Molecular Weight	424.43
AlogP	9.93
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	25.0
Polar Surface Area	26.3
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C28H56O2

Molecular Weight

424.43

AlogP

9.93

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

25.0

Polar Surface Area

26.3

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	32509-55-0
NORMAN SUSDAT
FDA SRS	2T78N654V7
PubChem	108682
ChemSpider	97724.0

Resources

Reference

CAS NUMBER

32509-55-0

NORMAN SUSDAT

FDA SRS

2T78N654V7

PubChem

108682

ChemSpider

97724.0

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

DECYL STEARATE

Structure

Physicochemical Descriptors

Cross References