EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	92AK1Y27MZ
EPA CompTox	DTXSID0020579

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

92AK1Y27MZ

EPA CompTox

DTXSID0020579


InChI Key	GGLZPLKKBSSKCX-UHFFFAOYSA-N
Smiles	CCSCCC(N)C(=O)O
InChI	InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

InChI Key

GGLZPLKKBSSKCX-UHFFFAOYSA-N

Smiles

CCSCCC(N)C(=O)O

InChI

InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

Property Name	Value
Molecular Formula	C6H13NO2S
Molecular Weight	163.07
AlogP	0.54
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	63.32
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H13NO2S

Molecular Weight

163.07

AlogP

0.54

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

63.32

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	67-21-0
NORMAN SUSDAT
FDA SRS	92AK1Y27MZ
PubChem	78435483
ChemSpider	5970.0

Resources

Reference

CAS NUMBER

67-21-0

NORMAN SUSDAT

FDA SRS

92AK1Y27MZ

PubChem

78435483

ChemSpider

5970.0

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, 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

DL-ETHIONINE

Structure

Physicochemical Descriptors

Cross References