EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P3HZB62ZVL
EPA CompTox	DTXSID90200597

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P3HZB62ZVL

EPA CompTox

DTXSID90200597


InChI Key	PQOQDGZTLPYXJD-QFIPXVFZSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
InChI	InChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29/h22H,2-21,25H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1

InChI Key

PQOQDGZTLPYXJD-QFIPXVFZSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O

InChI

InChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29/h22H,2-21,25H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1

Property Name	Value
Molecular Formula	C24H48N2O3
Molecular Weight	412.37
AlogP	6.79
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	22.0
Polar Surface Area	95.91
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H48N2O3

Molecular Weight

412.37

AlogP

6.79

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

22.0

Polar Surface Area

95.91

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	52616-32-7
NORMAN SUSDAT
FDA SRS	P3HZB62ZVL
PubChem	104260
ChemSpider	94124.0

Resources

Reference

CAS NUMBER

52616-32-7

NORMAN SUSDAT

FDA SRS

P3HZB62ZVL

PubChem

104260

ChemSpider

94124.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N6-(1-OXOOCTADECYL)-L-LYSINE

Structure

Physicochemical Descriptors

Cross References