2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid (CED0203029)

Record Information

Version

1.0

Creation Date

2026-08-23 22:15:10 UTC

Update Date

2026-08-23 22:15:10 UTC

Accession Number

CHEM239913

Identification

Common Name

2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid

Class

Small Molecule

Description

2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid is an organic compound with the formula C7H15NO5S and an average molecular weight of 225.27 g/mol. 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid belongs to the morpholines, a subclass of oxazinanes within the organic compounds. This organoheterocyclic compound has been identified in one recorded source: food, food processing & cookware, specifically processing meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₅NO₅S

Average Molecular Mass

225.270 g/mol

Monoisotopic Mass

225.067 g/mol

CAS Registry Number

68399-77-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)

InChI Key

NUFBIAUZAMHTSP-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0udl-9510000000-e78cf471023ad215410c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0390000000-2d6ec2e0e82f83c30244	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2900000000-47d27d8939b4ca5d92a9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0khi-9400000000-6e82087b9dade68ecf7c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0090000000-753f9c160ec87858e1d9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ej-9510000000-61ede32ad94a0944c846	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9200000000-3709c8af2356a709452c	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2332.0	Log mg/kg	[1300:4100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
552	Processing Meats	Food, food processing & cookware	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
663	Sanitary Equipment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Plasma membrane ATPase 1	P05030	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	0.233548
Click to view 3D structure	Tumor necrosis factor receptor superfamily member 16	Q9Z0W1	Mus musculus	Predicted (SEA)	5.68299
Click to view 3D structure	B-cell lymphoma 3 protein	P20749	Humans	Predicted (SEA)	117.397
Click to view 3D structure	Prostaglandin-H2 D-isomerase	O09114	Mus musculus	Predicted (SEA)	98.635
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	3096.92
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	1828.29
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	3486.79
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	2259.81
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	2759.83
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	740.346
Click to view 3D structure	Serine/threonine-protein kinase TBK1	Q9UHD2	Humans	Predicted (SEA)	4145.0
Click to view 3D structure	Serine/threonine-protein kinase 17A	Q9UEE5	Humans	Predicted (SEA)	4655.46
Click to view 3D structure	MAP/microtubule affinity-regulating kinase 3	P27448	Humans	Predicted (SEA)	5051.4
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	5475.37
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	4352.08
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	3671.21
Click to view 3D structure	MAP/microtubule affinity-regulating kinase 4	Q96L34	Humans	Predicted (SEA)	2499.27
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	6198.35
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	5387.87
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	6335.45
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2993.07
Click to view 3D structure	Hexokinase HKDC1	Q2TB90	Humans	Predicted (SEA)	815.938
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	6041.26
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	6008.17
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	6196.88