Trospectomycin (CED0018260)

Record Information

Version

1.0

Creation Date

2026-03-31 20:53:21 UTC

Update Date

2026-05-20 19:28:48 UTC

Accession Number

CHEM057909

Identification

Common Name

Trospectomycin

Class

Small Molecule

Description

Trospectomycin is an organoheterocyclic compound with the formula C17H30N2O7 and an average molecular weight of 374.43 g/mol. Trospectomycin belongs to the 1,4-dioxanes, a subclass of dioxanes within the organic compounds. This compound is found in or released from five recorded sources, including antibiotics within healthcare, pharmaceuticals, and veterinary products, as well as fermentation processes for beer in food, food processing, and cookware. Additionally, it is associated with bleaching agents in household cleaning and consumer products, and electrical and electronic equipment such as antennas and discharge lamps. Recorded exposure routes for trospectomycin include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₃₀N₂O₇

Average Molecular Mass

374.434 g/mol

Monoisotopic Mass

374.205 g/mol

CAS Registry Number

88669-04-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]12O[C@H](CCCC)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2

InChI Identifier

InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1

InChI Key

KHAUBYTYGDOYRU-IRXASZMISA-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

Not Available

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
7283.0	Log mg/kg	[4100:13000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
654	Sleeve Links	Textiles, leather & furnishings	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	Transcriptional activator protein LasR	P25084	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	46.2424
Click to view 3D structure	Nicotinic acetylcholine receptor alpha1 subunit	O46128	Heliothis virescens	Predicted (SEA)	0.389246
Click to view 3D structure	Potassium channel subfamily K member 2	Q920B6	Rattus norvegicus	Predicted (SEA)	40.3259
Click to view 3D structure	Asialoglycoprotein receptor 1	P07306	Humans	Predicted (SEA)	3.81461
Click to view 3D structure	Peptide deformylase	P9WIJ3	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	135.38
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	4967.01
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	4771.3
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	47.2545
Click to view 3D structure	Probable alpha-glucosidase Os06g0675700	Q653V7	Oryza sativa Japonica Group	Predicted (SEA)	4.5931
Click to view 3D structure	Diacylglycerol lipase-alpha	Q9Y4D2	Humans	Predicted (SEA)	1306.62
Click to view 3D structure	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	Q8HXG6	Bos taurus	Predicted (SEA)	29.5827
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	2513.91
Click to view 3D structure	Cytosolic beta-glucosidase	Q9H227	Humans	Predicted (SEA)	7.00643
Click to view 3D structure	PhzR	Q9RMS5	Pseudomonas aeruginosa	Predicted (SEA)	72.789
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	5203.83
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	5488.29
Click to view 3D structure	Nuclear receptor subfamily 4 group A member 2	Q07917	Rattus norvegicus	Predicted (SEA)	55.5843
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	5333.68
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	62.2794
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	7054.54
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	25.301
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	7110.51
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	3643.73
Click to view 3D structure	Transcriptional activator protein LuxR	P12746	Aliivibrio fischeri	Predicted (SEA)	257.914
Click to view 3D structure	P-selectin	Q01102	Mus musculus	Predicted (SEA)	55.4286