Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	55725
Common Name:	Astromicin
Systematic Name:	N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylglycinamide
RefMet Name:	Astromicin
Synonyms:	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-inositol; 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-inositol; ASTM; KW 1070; KW-1070; XK 70-1; XK-70-1; antibiotic KW-1070; astromycin; fortimicin A [PubChem Synonyms]
Exact Mass:	405.2587 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C17H35N5O6
InChIKey:	BIDUPMYXGFNAEJ-APGVDKLISA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Aminocyclitol glycosides [C0001675]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H]([C@H]1O)N(C)C(=O)CN)OC)O)N)N)N
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5284517
CHEBI ID:	37923
HMDB ID:	HMDB0248678
Natural Products Atlas ID:	NP021120
NP-MRD ID(NMR):	NP0023309
EPA CompTox DB:	DTXCID50209187

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y