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CHEBI:64255 - tunicamycin B3

ChEBI IDCHEBI:64255
ChEBI Nametunicamycin B3
Stars
ASCII Nametunicamycin B3
DefinitionA nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 13-methyltetradecanoyl fatty acyl substituent on the amino group of the tunicamine moiety.
Last Modified20 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H64N4O16
Net Charge0
Average Mass832.942
Monoisotopic Mass832.43173
SMILES[H][C@]1([C@]([H])(O)C[C@H]2O[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](NC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]2O)O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C38H64N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h15-16,19,21-23,26-37,43,45,48-53H,4-14,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1
InChIKeyXAFNQFHOQPRGAK-KTVOANSYSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
tunicamycin B3 (CHEBI:64255) has role antimicrobial agent (CHEBI:33281)
tunicamycin B3 (CHEBI:64255) is a nucleoside (CHEBI:33838)
Incoming Relation(s)
tunicamycin (CHEBI:29699) has part tunicamycin B3 (CHEBI:64255)
IUPAC Names 
(5'R)-5'-[2-acetamido-2-deoxy-α-D-glucopyranosyl-(1↔1)-2,6-dideoxy-2-(13-methyltetradecanamido)-β-D-galactopyranos-6-yl]uridine
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradecanamide
Synonym  Source
tunicamycin VIChEBI
Citations