P. aeruginosa Metabolome Database: 3-(N-morpholino)propanesulfonate (PAMDB006370)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 11:54:54 AM

Metabolite ID

PAMDB006370

Identification

Name:

3-(N-morpholino)propanesulfonate

Description:

FMNH2-dependent alkanesulfonate monooxygenase (gene name: ssuD) is an enzyme which catalyses the reaction 3-(N-morpholino)propanesulfonate + FMNH2 + oxygen ??3-(N-morpholino)propanal + sulfite + FMN + H2O + 2 H+ (BioCyc compound: CPD0-1958).

Structure

Synonyms:

3-(N-morpholino)Propanesulfonic acid
3-(N-morpholino)Propanesulphonate
3-(N-morpholino)Propanesulphonic acid

Chemical Formula:

C₇H₁₅NO₄S

Average Molecular Weight:

209.263

Monoisotopic Molecular Weight:

209.072178663

InChI Key:

DVLFYONBTKHTER-UHFFFAOYSA-N

InChI:

InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

CAS number:

Not Available

IUPAC Name:

Not Available

Traditional IUPAC Name:

Not Available

SMILES:

OS(=O)(=O)CCCN1CCOCC1

Chemical Taxonomy

Taxonomy Description

Not Available

Kingdom

Not Available

Super Class

Not Available

Class

Not Available

Sub Class

Not Available

Direct Parent

Not Available

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Not Available

External Descriptors

Not Available

Physical Properties

State:

Not Available

Charge:

Not Available

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

Oxygen + FMNH2 + 3-(N-morpholino)propanesulfonate > Sulfite + Water + Hydrogen ion + Flavin Mononucleotide + Betaine aldehyde + Sulfite
Adenosine triphosphate + Water + 3-(N-morpholino)propanesulfonate > Phosphate + Hydrogen ion + Adenosine diphosphate + 3-(N-morpholino)propanesulfonate + ADP
Adenosine triphosphate + Water + 3-(N-morpholino)propanesulfonate > Phosphate + Hydrogen ion + Adenosine diphosphate + 3-(N-morpholino)propanesulfonate + ADP

SMPDB Pathways:

sulfur metabolism (propanesulfonate)

PW000924

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

Pathways:

Not Available

Spectra

Spectra:

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0490000000-37a5620f1c25071c211b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-1910000000-275c47935f864ed93e36	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9300000000-0f39a60195b60ac5d7f0	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-4190000000-b1d5878204557d8d3dce	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9230000000-a1830d5422243af5b6e9	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-4eae7b5e628f012a4196	View in MoNA

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link

Enzymes

Protein Details

• Alkanesulfonate monooxygenase

General function:: Involved in alkanesulfonate monooxygenase activity
Specific function:: Involved in desulfonation of aliphatic sulfonates. Catalyzes the conversion of pentanesulfonic acid to sulfite and pentaldehyde and is able to desulfonate a wide range of sulfonated substrates including C-2 to C-10 unsubstituted linear alkanesulfonates, substituted ethanesulfonic acids and sulfonated buffers
Gene Name:: ssuD
Locus Tag:: PA3444
Molecular weight:: 41.6 kDa

Reactions

An alkanesufonate (R-CH(2)-SO(3)H) + FMNH(2) + O(2) = an aldehyde (R-CHO) + FMN + sulfite + H(2)O.

Protein Details

• Putative aliphatic sulfonates transport permease protein ssuC

General function:: Involved in transporter activity
Specific function:: Part of a binding-protein-dependent transport system for aliphatic sulfonates. Probably responsible for the translocation of the substrate across the membrane
Gene Name:: ssuC
Locus Tag:: PA3443
Molecular weight:: 28.5 kDa

Protein Details

• Aliphatic sulfonates import ATP-binding protein SsuB

General function:: Involved in nucleotide binding
Specific function:: Part of the ABC transporter complex SsuABC involved in aliphatic sulfonates import. Responsible for energy coupling to the transport system (Probable)
Gene Name:: ssuB
Locus Tag:: PA3442
Molecular weight:: 29.8 kDa

Transporters

Protein Details

• Putative aliphatic sulfonates transport permease protein ssuC

General function:: Involved in transporter activity
Specific function:: Part of a binding-protein-dependent transport system for aliphatic sulfonates. Probably responsible for the translocation of the substrate across the membrane
Gene Name:: ssuC
Locus Tag:: PA3443
Molecular weight:: 28.5 kDa

Protein Details

• Aliphatic sulfonates import ATP-binding protein SsuB

General function:: Involved in nucleotide binding
Specific function:: Part of the ABC transporter complex SsuABC involved in aliphatic sulfonates import. Responsible for energy coupling to the transport system (Probable)
Gene Name:: ssuB
Locus Tag:: PA3442
Molecular weight:: 29.8 kDa