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CHEBI:64246 - tunicamycin A2

ChEBI IDCHEBI:64246
ChEBI Nametunicamycin A2
Stars
ASCII Nametunicamycin A2
DefinitionA nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a tetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety.
Last Modified20 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H60N4O16
Net Charge0
Average Mass816.899
Monoisotopic Mass816.40043
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)/C=C/CCCCCCCCCCC)[C@@H](O)[C@H]2O)O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C37H60N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(2)43)29(49)28(48)22(18-42)55-35)17-20(44)33-31(51)32(52)34(56-33)41-16-15-24(46)40-37(41)53/h13-16,20-22,25-36,42,44,47-52H,3-12,17-18H2,1-2H3,(H,38,43)(H,39,45)(H,40,46,53)/b14-13+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1
InChIKeyMMDMXWRRAOLMDC-ZNZAGFTISA-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 A2 (CHEBI:64246) has role antimicrobial agent (CHEBI:33281)
tunicamycin A2 (CHEBI:64246) is a nucleoside (CHEBI:33838)
Incoming Relation(s)
tunicamycin (CHEBI:29699) has part tunicamycin A2 (CHEBI:64246)
IUPAC Names 
(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]tetradec-2-enamide
(5'R)-5'-[2-acetamido-2-deoxy-α-D-glucopyranosyl-(1↔1)-2,6-dideoxy-2-(tetradec-2-enamido)-β-D-galactopyranos-6-yl]uridine
Synonym  Source
tunicamycin IIIChEBI
Citations