bluensomycin - Moligand™ , CAS No.11011-72-6

CAS: 11011-72-6 Cat. No.: B608110 PubChem CID: 20055290

GRADE & PURITY Moligand™

Synonyms

Bluensomycinum [INN-Latin] | SCHEMBL691672 | Bluensomycin | U12898 | U-12898 | Antibiotic obtained from cultures of Streptomyces verticillus, or the same substance produced by any other means | Bluensin | Bluensomycine | U 12898D | C17573 | GTPL10765 | CH

Storage

Room temperature

Specifications

Synonyms

Bluensomycinum [INN-Latin] | SCHEMBL691672 | Bluensomycin | U12898 | U-12898 | Antibiotic obtained from cultures of Streptomyces verticillus, or the same substance produced by any other means | Bluensin | Bluensomycine | U 12898D | C17573 | GTPL10765 | CH

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC
• IUPAC Name: [(1R,2S,3S,4R,5R,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl] carbamate
• InChIKey: RQLDKUSQKQMFCN-AEXVNIBOSA-N
• INCHI: 1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,21+/m0/s1
• Isomeric SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)OC(=O)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O
• PubChem CID: 20055290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: O-glycosyl compounds Cyclohexanols Cyclitols and derivatives Monosaccharides Oxanes Carbamate esters Tetrahydrofurans Tertiary alcohols 1,2-aminoalcohols Guanidines Organic carbonic acids and derivatives Acetals Dialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Polyols Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Amino cyclitol glycoside - Glycosyl compound - O-glycosyl compound - Cyclohexanol - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Guanidine - 1,2-aminoalcohol - Acetal - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Polyol - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Oxacycle - Secondary aliphatic amine - Primary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Alcohol - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound 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.
• External Descriptors: amino sugar

Data sources

1. 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. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y