EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	71LR9E669S
EPA CompTox	DTXSID701144208

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

71LR9E669S

EPA CompTox

DTXSID701144208


InChI Key	BWZLMHVNONMDSZ-KHPPLWFESA-N
Smiles	O=C(OCC(O)COC(=O)C(O)C)CCCCCCCC=CCCCCCCCC
InChI	InChI=1/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h10-11,21-22,25-26H,3-9,12-20H2,1-2H3

InChI Key

BWZLMHVNONMDSZ-KHPPLWFESA-N

Smiles

O=C(OCC(O)COC(=O)C(O)C)CCCCCCCC=CCCCCCCCC

InChI

InChI=1/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h10-11,21-22,25-26H,3-9,12-20H2,1-2H3

Property Name	Value
Molecular Formula	C24H44O6
Molecular Weight	428.31
AlogP	4.85
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	20.0
Polar Surface Area	93.06
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H44O6

Molecular Weight

428.31

AlogP

4.85

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

20.0

Polar Surface Area

93.06

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	71400-22-1
NORMAN SUSDAT
FDA SRS	71LR9E669S
PubChem	16205241

Resources

Reference

CAS NUMBER

71400-22-1

NORMAN SUSDAT

FDA SRS

71LR9E669S

PubChem

16205241

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

2-HYDROXY-3-(2-HYDROXY-1-OXOPROPOXY)PROPYL OLEATE

Structure

Physicochemical Descriptors

Cross References