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CHEBI:202232 - TMG-chitotriomycin

ChEBI IDCHEBI:202232
ChEBI NameTMG-chitotriomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59N4O20
Net Charge+1
Average Mass831.843
Monoisotopic Mass831.37172
SMILESCC(=O)NC1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4[N+](C)(C)C)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[ax122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NC/2C/2C]/1-2-2-3/a4-b1_b4-c1_c4-d1
InChIInChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18?,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30?,31+,32+,33-/m1/s1
InChIKeyWQUCMKJYZLSZGP-PYEDOYKNSA-O
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18307344)
ChEBI Ontology
Outgoing Relation(s)
TMG-chitotriomycin (CHEBI:202232) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-trimethylazanium
Manual XrefsDatabases
78443791ChemSpider