CHEBI:64245 - tunicamycin A1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tunicamycin A1
ChEBI ID CHEBI:64245
ChEBI ASCII Name tunicamycin A1
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H60N4O16
Net Charge 0
Average Mass 816.88950
Monoisotopic Mass 816.40043
InChI InChI=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
InChIKey YJQCOFNZVFGCAF-LLXUUZRASA-N
SMILES [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tunicamycin A1 (CHEBI:64245) has role antimicrobial agent (CHEBI:33281)
tunicamycin A1 (CHEBI:64245) is a nucleoside (CHEBI:33838)
Incoming 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 Sources
tunicamycin A1 UniProt
tunicamycin C ChEBI
tunicamycin II ChEBI
Registry Number Type Source
8183793 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7061468 PubMed citation Europe PMC
Last Modified
02 September 2021