EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	261B157KR8

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

261B157KR8


InChI Key	JULROCUWKLNBSN-UHFFFAOYSA-N
Smiles	NC(C[Se][Se]CC(N)C(O)=O)C(O)=O
InChI	InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

InChI Key

JULROCUWKLNBSN-UHFFFAOYSA-N

Smiles

NC(C[Se][Se]CC(N)C(O)=O)C(O)=O

InChI

InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

Property Name	Value
Molecular Formula	C6H12N2O4Se2
Molecular Weight	335.91
AlogP	-2.03
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	126.64
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C6H12N2O4Se2

Molecular Weight

335.91

AlogP

-2.03

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

7.0

Polar Surface Area

126.64

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1464-43-3
NORMAN SUSDAT
FDA SRS	261B157KR8

Resources

Reference

CAS NUMBER

1464-43-3

NORMAN SUSDAT

FDA SRS

261B157KR8

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

SELENOCYSTINE

Structure

Physicochemical Descriptors

Cross References