Angustmycin A (CED0023362)

Record Information

Version

1.0

Creation Date

2026-03-31 20:49:22 UTC

Update Date

2026-05-20 19:28:10 UTC

Accession Number

CHEM057873

Identification

Common Name

Angustmycin A

Class

Small Molecule

Description

Angustmycin A is an organoheterocyclic compound with the formula C11H13N5O4 and an average molecular weight of 279.26 g/mol. Angustmycin A belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for the substance include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₃N₅O₄

Average Molecular Mass

279.256 g/mol

Monoisotopic Mass

279.097 g/mol

CAS Registry Number

2004-04-8;21735-70-6;1373-27-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=C2N=CN(C2=NC=N1)[C@]1(CO)OC(=C)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1

InChI Key

UZSSGAOAYPICBZ-SOCHQFKDSA-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 LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001r-0490000000-b50c0389bfc24c0f9c11	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-3900000000-9c6a844389da61e7a8e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ap3-7900000000-e1af4e0a65ee765a9c2c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0590000000-4c4783ca49fc51e5e04c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0910000000-2d31f23a4cb330ce748b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-053r-6900000000-fe2e1ab58226c5bbcd11	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
3863.0	Log mg/kg	[2200:6900]	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
606	Plant Growth Regulators	Agriculture & land management	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	2-oxoglutarate receptor 1	Q6Y1R5	Rattus norvegicus	Predicted (SEA)	19.4623
Click to view 3D structure	NS5	A0A143MHK7	Zika virus	Predicted (SEA)	9.73115
Click to view 3D structure	Endoplasmin	Q29092	Sus scrofa	Predicted (SEA)	20.0851
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	35.3435
Click to view 3D structure	P2Y purinoceptor 2	P41231	Humans	Predicted (SEA)	31.6068
Click to view 3D structure	Adenosine receptor A1	P28190	Bos taurus	Predicted (SEA)	45.0747
Click to view 3D structure	P2Y purinoceptor 1	P49652	Meleagris gallopavo	Predicted (SEA)	27.5586
Click to view 3D structure	Heat shock cognate 71 kDa protein	P19120	Bos taurus	Predicted (SEA)	25.4567
Click to view 3D structure	Sensor protein kinase WalK	Q9RDT3	Staphylococcus aureus	Predicted (SEA)	25.4567
Click to view 3D structure	P2X purinoceptor 1	P51575	Humans	Predicted (SEA)	31.8403
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	385.821
Click to view 3D structure	Adenosylhomocysteinase	P23526	Humans	Predicted (SEA)	6.38364
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	52.5482
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	56.1293
Click to view 3D structure	Adenosylhomocysteinase	P50247	Mus musculus	Predicted (SEA)	1.47914
Click to view 3D structure	Inosine-uridine preferring nucleoside hydrolase	Q27546	Crithidia fasciculata	Predicted (SEA)	0.389246
Click to view 3D structure	Inosine-adenosine-guanosine-nucleoside hydrolase	O15727	Trypanosoma brucei brucei	Predicted (SEA)	0.389246
Click to view 3D structure	Adenosylhomocysteinase	P10760	Rattus norvegicus	Predicted (SEA)	3.26967
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	64.2256
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	35.4214
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	68.3516
Click to view 3D structure	Heat shock protein HSP 90-alpha	P07900	Humans	Predicted (SEA)	32.0739
Click to view 3D structure	Endoplasmin	P14625	Humans	Predicted (SEA)	26.0016
Click to view 3D structure	S-methyl-5'-thioadenosine phosphorylase	Q9CQ65	Mus musculus	Predicted (SEA)	12.923
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	77.7714