ECMDB: Cysteamine (ECMDB24080) (M2MDB006197)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References XML

Record Information

Version

2.0

Creation Date

2015-09-08 17:49:06 -0600

Update Date

2015-09-08 17:49:06 -0600

Secondary Accession Numbers

ECMDB24080

Identification

Name:

Cysteamine

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms:

Value	Source
2-Amino-1-ethanethiol	ChEBI
2-AMINO-ethanethiol	ChEBI
2-Aminoethanethiol	ChEBI
beta-Aminoethanethiol	ChEBI
beta-Aminoethylthiol	ChEBI
beta-MEA	ChEBI
beta-Mercaptoethylamine	ChEBI
MEA	ChEBI
Mercaptamina	ChEBI
Mercaptamine	ChEBI
Mercaptaminum	ChEBI
Thioethanolamine	ChEBI
b-Aminoethanethiol	Generator
Β-aminoethanethiol	Generator
b-Aminoethylthiol	Generator
Β-aminoethylthiol	Generator
b-MEA	Generator
Β-mea	Generator
b-Mercaptoethylamine	Generator
Β-mercaptoethylamine	Generator
(2-Mercaptoethyl)amine	HMDB
2-Aminoethyl mercaptan	HMDB
2-Mercaptoethanamine	HMDB
Aminoethyl mercaptan	HMDB
Becaptan	HMDB
CASH	HMDB
Cisteamina	HMDB
Cysteamide	HMDB
Cysteamin	HMDB
Cysteaminium	HMDB
Cysteinamine	HMDB
Decarboxycysteine	HMDB
Ethanethiolamine	HMDB
Lambraten	HMDB
Lambratene	HMDB
Mecramine	HMDB
Mercamin	HMDB
Mercamine	HMDB
Mercaptamin	HMDB
Merkamin	HMDB
Riacon	HMDB
35S-Labeled cysteamine	HMDB
Cystagon	HMDB
Cysteamine hydrobromide	HMDB
Hydrochloride, cysteamine	HMDB
Tosylate, cysteamine	HMDB
Cysteamine dihydrochloride	HMDB
Cysteamine hydrochloride	HMDB
Cysteamine maleate (1:1)	HMDB
Cysteamine tosylate	HMDB
Mercaptoethylamine	HMDB
2 Aminoethanethiol	HMDB
Cysteamine bitartrate	HMDB
Cysteamine tartrate	HMDB
Cysteamine tartrate (1:1)	HMDB
Hydrobromide, cysteamine	HMDB
Tartrate, cysteamine	HMDB
beta Mercaptoethylamine	HMDB
Bitartrate, cysteamine	HMDB
Cysteamine, 35S labeled	HMDB
Cysteamine, 35S-labeled	HMDB
Dihydrochloride, cysteamine	HMDB

Chemical Formula:

C₂H₇NS

Weight:

Average: 77.149
Monoisotopic: 77.029919919

InChI Key:

UFULAYFCSOUIOV-UHFFFAOYSA-N

InChI:

InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2

CAS number:

Not Available

IUPAC Name:

2-aminoethane-1-thiol

Traditional IUPAC Name:

cysteamine

SMILES:

NCCS

Chemical Taxonomy

Description

belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.

Kingdom

Organic compounds

Super Class

Organosulfur compounds

Class

Thiols

Sub Class

Alkylthiols

Direct Parent

Alkylthiols

Alternative Parents

Substituents

Alkylthiol
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

thiol (CHEBI:17141 )
amine (CHEBI:17141 )
Biogenic amines (C01678 )
a thiol (CPD-239 )

Physical Properties

State:

Not Available

Charge:

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Property	Value	Source
Water Solubility	23.5 g/L	ALOGPS
logP	0.01	ALOGPS
logP	-0.42	ChemAxon
logS	-0.52	ALOGPS
pKa (Strongest Acidic)	9.42	ChemAxon
pKa (Strongest Basic)	10.4	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	26.02 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	22.39 m³·mol⁻¹	ChemAxon
Polarizability	8.65 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

Pantetheine + Water + Pantetheine > Pantothenic acid + Cysteamine + Pantothenic acid

SMPDB Pathways:

Not Available

KEGG Pathways:

Not Available

EcoCyc Pathways:

Not Available

Concentrations

Not Available

Spectra

Spectra:

Spectrum Type	Description	Splash Key
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-00di-1900000000-287334efed4c27d47e62	View in MoNA
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-00di-1900000000-e26f666cab18d523e475	View in MoNA
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-00di-7900000000-25e27a3413a3e9bd6e86	View in MoNA
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-00dr-3900000000-5f3c0dc6b99382c852e2	View in MoNA
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-1900000000-287334efed4c27d47e62	View in MoNA
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-1900000000-e26f666cab18d523e475	View in MoNA
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-7900000000-25e27a3413a3e9bd6e86	View in MoNA
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00dr-3900000000-5f3c0dc6b99382c852e2	View in MoNA
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00dr-3900000000-5f3c0dc6b99382c852e2	View in MoNA
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-2900000000-ba8ae281d3d77ff202c1	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-003u-9000000000-48a76c3cb5971165dc16	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-03di-9000000000-0fdf5bdcf8a4a1bf9afb	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-03di-9000000000-f99f2f10c6728595d6ea	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-01t9-9000000000-fa7f96e00debe1bebf70	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-0udi-9000000000-f7ecadf4e8c1d670f5a7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-9bcb6f0736d473b67041	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01t9-9000000000-2607b3d0e4b061c850bd	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-1455192f11f88cd089c5	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-e7f199c21a894c5cf75c	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004l-9000000000-148162e343b3a9f7373b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001l-9000000000-205aabf68c202f080d99	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-b167802490bdc502828d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00b9-9000000000-006d44449441398ce13b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-057i-9000000000-b2c213fcf6e17049140b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-ff9c437be9955d96c16e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-ff9c437be9955d96c16e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-947d309fccf2ffba996f	View in MoNA
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	1H NMR Spectrum	Not Available	View in JSpectraViewer
1D NMR	13C NMR Spectrum	Not Available	View in JSpectraViewer
2D NMR	[1H,13C] 2D NMR Spectrum	Not Available	View in JSpectraViewer

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
CHEBI ID	17141
HMDB ID	HMDB0002991
Pubchem Compound ID	6058
Kegg ID	C01678
ChemSpider ID	5834
Wikipedia ID	Cysteamine
BioCyc ID	Not Available

Cysteamine (ECMDB24080) (M2MDB006197)

Structure for #<Compound:0xa322cd80>