EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R326X4TRBY
EPA CompTox	DTXSID00867519

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R326X4TRBY

EPA CompTox

DTXSID00867519


InChI Key	FGIJQXGDQVNWKH-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCC1(CO1)C(O)=O
InChI	InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H,18,19)

InChI Key

FGIJQXGDQVNWKH-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCC1(CO1)C(O)=O

InChI

InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H,18,19)

Property Name	Value
Molecular Formula	C17H32O3
Molecular Weight	284.24
AlogP	4.93
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	49.83
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H32O3

Molecular Weight

284.24

AlogP

4.93

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

49.83

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	68170-97-8
NORMAN SUSDAT
FDA SRS	R326X4TRBY

Resources

Reference

CAS NUMBER

68170-97-8

NORMAN SUSDAT

FDA SRS

R326X4TRBY

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

2-TETRADECYLGLYCIDIC ACID

Structure

Physicochemical Descriptors

Cross References