EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S5IHI68VM9

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S5IHI68VM9


InChI Key	ORLIFRJRAMADMX-MSUUIHNZSA-N
Smiles	O=C(OCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
InChI	InChI=1/C31H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17H,3-15,18-30H2,1-2H3

InChI Key

ORLIFRJRAMADMX-MSUUIHNZSA-N

Smiles

O=C(OCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC

InChI

InChI=1/C31H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17H,3-15,18-30H2,1-2H3

Property Name	Value
Molecular Formula	C31H60O2
Molecular Weight	464.46
AlogP	10.88
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	27.0
Polar Surface Area	26.3
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C31H60O2

Molecular Weight

464.46

AlogP

10.88

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

27.0

Polar Surface Area

26.3

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	75164-73-7
NORMAN SUSDAT
FDA SRS	S5IHI68VM9
PubChem	6432922

Resources

Reference

CAS NUMBER

75164-73-7

NORMAN SUSDAT

FDA SRS

S5IHI68VM9

PubChem

6432922

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

TRIDECYL OLEATE

Structure

Physicochemical Descriptors

Cross References