Astromicin (CED0017369)

Record Information
Version1.0
Creation Date2016-05-22 03:37:17 UTC
Update Date2026-08-19 22:28:33 UTC
Accession NumberCHEM016569
Identification
Common NameAstromicin
ClassSmall Molecule
Description
Astromicin is an organic compound with the formula C17H35N5O6 and an average molecular weight of 405.50 g/mol. Astromicin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for this compound include oral and inhalation.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
4-Amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolChEBI
4-Amino-1-(2-amino-N-methylacetamido)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolChEBI
Antibiotic KW-1070ChEBI
ASTMChEBI
AstromicinaChEBI
AstromicineChEBI
AstromicinumChEBI
AstromycinChEBI
Fortimicin aChEBI
KW 1070ChEBI
KW-1070ChEBI
XK 70-1ChEBI
XK-70-1ChEBI
4-Amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-b-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolGenerator
4-Amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolGenerator
4-Amino-1-(2-amino-N-methylacetamido)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-b-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolGenerator
4-Amino-1-(2-amino-N-methylacetamido)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositolGenerator
Abbott 44747MeSH
AstromicinMeSH
Fortimicin a sulfateMeSH
Fortimicin a sulfate (1:2)MeSH
Chemical FormulaC17H35N5O6
Average Molecular Mass405.496 g/mol
Monoisotopic Mass405.259 g/mol
CAS Registry Number55779-06-1
IUPAC Name2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-{[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy}-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide
Traditional Nameastromicin
SMILES[H][C@@](C)(N)[C@]1([H])CC[C@@]([H])(N)[C@@]([H])(O[C@]2([H])[C@@]([H])(N)[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(N(C)C(=O)CN)[C@@]2([H])O)O1
InChI IdentifierInChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1
InChI KeyBIDUPMYXGFNAEJ-APGVDKLISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAminocyclitol glycosides
Alternative Parents
Substituents
  • Amino cyclitol glycoside
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Aminocyclitol or derivatives
  • Cyclohexanol
  • Cyclohexylamine
  • Cyclitol or derivatives
  • Oxane
  • Cyclic alcohol
  • Tertiary carboxylic acid amide
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Carboxamide group
  • Secondary alcohol
  • Ether
  • Dialkyl ether
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Acetal
  • Oxacycle
  • Organonitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary amine
  • Primary aliphatic amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility21.9 g/LALOGPS
logP-1.8ALOGPS
logP-4ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)13.16ChemAxon
pKa (Strongest Basic)9.83ChemAxon
Physiological Charge4ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area192.54 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity99.27 m³·mol⁻¹ChemAxon
Polarizability41.95 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-3149600000-aeb013286b91212fead7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0btd-5693000000-f5cd9db638115428b975Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06s9-9612000000-f88372092c9b6a05291cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1395800000-e1b24538b33e9bf01f10Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dr-3975000000-5b0c3fa84d01de28f8bcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-2940000000-986dce6764bda51d8c3aNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5362.0Log mg/kg[3000:9500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
678Nitrogenous FertilisersAgriculture & land managementNot Available
679Phosphatic FertilisersAgriculture & land managementNot Available
685CeramicsBuilding & ConstructionNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)3.26967
Gap junction alpha-1 protein structureClick to view 3D structureGap junction alpha-1 proteinP17302HumansPredicted (SEA)3.50322
Click to view 3D structureHuman immunodeficiency virus type 1 REVQ77Y21Human immunodeficiency virus 1Predicted (SEA)1.24559
Endopolygalactyuronase structureClick to view 3D structureEndopolygalactyuronaseP79074Chondrostereum purpureumPredicted (SEA)1.79053
Heparanase structureClick to view 3D structureHeparanaseQ9Y251HumansPredicted (SEA)27.4029
DIS3-like exonuclease 2 structureClick to view 3D structureDIS3-like exonuclease 2Q8IYB7HumansPredicted (SEA)2.25763
Beta-ketoacyl-[acyl-carrier-protein] synthase III structureClick to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP0A6R0Escherichia coli (strain K12)Predicted (SEA)3.81461
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)21.2528
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)21.2528
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)38.0683
UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase structureClick to view 3D structureUDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferaseQ9H3H5HumansPredicted (SEA)293.881
Fibroblast growth factor 1 structureClick to view 3D structureFibroblast growth factor 1P05230HumansPredicted (SEA)10.3539
Neuraminidase structureClick to view 3D structureNeuraminidaseP03468Influenza A virus (A/Puerto Rico/8/1934(H1N1))Predicted (SEA)1249.56
Click to view 3D structureSialidaseP10481Clostridium perfringensPredicted (SEA)258.459
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)477.449
Fibroblast growth factor 2 structureClick to view 3D structureFibroblast growth factor 2P09038HumansPredicted (SEA)41.4936
Endo-beta-N-acetylglucosaminidase structureClick to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)28.1814
Neuraminidase structureClick to view 3D structureNeuraminidaseP06820Influenza A virus (strain A/Tokyo/3/1967 H2N2)Predicted (SEA)132.188
Fibronectin structureClick to view 3D structureFibronectinP02751HumansPredicted (SEA)25.6124
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)1456.09
Click to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 3C3TDZ2Escherichia coliPredicted (SEA)4.82665
Neuraminidase structureClick to view 3D structureNeuraminidaseP03474Influenza B virus (strain B/Lee/1940)Predicted (SEA)320.661
PA-I galactophilic lectin structureClick to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)30.5169
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)172.67
Click to view 3D structurePhospho-N-acetylmuramoyl-pentapeptide-transferaseP9WMW7Mycobacterium tuberculosisPredicted (SEA)148.147
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00018137
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAstromicin
Chemspider IDNot Available
ChEBI ID37923
PubChem Compound ID5284517
Kegg Compound IDC17708
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1494349
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=2737953
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=6526734
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=6526735
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=8486289