EcoDrugPlus


Synonyms	Cysteine Cysteine HCl Cysteinum E 920 E920 E921 FEMA NO. 3263 L-cysteine NSC-8746
Status
Molecule Category	Free-form
UNII	K848JZ4886
EPA CompTox	DTXSID8022876

Synonyms

Cysteine

Cysteine HCl

Cysteinum

E 920

E920

E921

FEMA NO. 3263

L-cysteine

NSC-8746

Status

Molecule Category

Free-form

UNII

K848JZ4886

EPA CompTox

DTXSID8022876


InChI Key	XUJNEKJLAYXESH-REOHCLBHSA-N
Smiles	N[C@@H](CS)C(=O)O
InChI	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

InChI Key

XUJNEKJLAYXESH-REOHCLBHSA-N

Smiles

N[C@@H](CS)C(=O)O

InChI

InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

Property Name	Value
Molecular Formula	C3H7NO2S
Molecular Weight	121.16
AlogP	-0.67
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C3H7NO2S

Molecular Weight

121.16

AlogP

-0.67

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

63.32

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
ChEBI	17561
ChEMBL	CHEMBL863
DrugBank	DB00151
DrugCentral	769
FDA SRS	K848JZ4886
Human Metabolome Database	HMDB0000574
Guide to Pharmacology	4782
KEGG	C00097
PDB	CYS
PharmGKB	PA449173
PubChem	5862
SureChEMBL	SCHEMBL3349
ZINC	ZINC000000895042

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0000574

Guide to Pharmacology

KEGG

PDB

PharmGKB

PubChem

SureChEMBL

ZINC

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

CYSTEINE

Structure

Physicochemical Descriptors

Cross References