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CHEBI:64245 - tunicamycin A1

ChEBI IDCHEBI:64245
ChEBI Nametunicamycin A1
Stars
ASCII Nametunicamycin A1
DefinitionA nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 12-methyltridec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety.
Last Modified2 September 2021
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/CCCCCCCCC(C)C)[C@@H](O)[C@H]2O)O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1
InChIKeyYJQCOFNZVFGCAF-LLXUUZRASA-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 A1 (CHEBI:64245) has role antimicrobial agent (CHEBI:33281)
tunicamycin A1 (CHEBI:64245) is a nucleoside (CHEBI:33838)
Incoming Relation(s)
tunicamycin (CHEBI:29699) has part tunicamycin A1 (CHEBI:64245)
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]-12-methyltridec-2-enamide
(5'R)-5'-[2-acetamido-2-deoxy-α-D-glucopyranosyl-(1↔1)-2,6-dideoxy-2-(12-methyltridec-2-enamido)-β-D-galactopyranos-6-yl]uridine
Synonyms  Source
tunicamycin IIChEBI
tunicamycin CChEBI
UniProt Name  Source
tunicamycin A1UniProt
Registry NumbersSources
Reaxys:8183793Reaxys
Citations