EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6WP535DN59
EPA CompTox	DTXSID70865289

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6WP535DN59

EPA CompTox

DTXSID70865289


InChI Key	ILJDYMFZBMWGGZ-UHFFFAOYSA-N
Smiles	O=C(OCC(O)CO)CCCC(O)CCCCC
InChI	InChI=1/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3

InChI Key

ILJDYMFZBMWGGZ-UHFFFAOYSA-N

Smiles

O=C(OCC(O)CO)CCCC(O)CCCCC

InChI

InChI=1/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3

Property Name	Value
Molecular Formula	C13H26O5
Molecular Weight	262.18
AlogP	0.99
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	86.99
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C13H26O5

Molecular Weight

262.18

AlogP

0.99

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

86.99

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	26446-31-1
NORMAN SUSDAT
FDA SRS	6WP535DN59
PubChem	5463954

Resources

Reference

CAS NUMBER

26446-31-1

NORMAN SUSDAT

FDA SRS

6WP535DN59

PubChem

5463954

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

5-HYDROXYDECANOIC ACID, MONOESTER WITH GLYCEROL

Structure

Physicochemical Descriptors

Cross References