CHEBI:2413 - acetylblasticidin S

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ChEBI Name acetylblasticidin S ChEBI ID CHEBI:2413 Definition A member of the class of blasticidins that is blasticidin S in which the side-chain amino group is acetylated. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H28N8O6 Net Charge 0 Average Mass 464.47560 Monoisotopic Mass 464.21318 InChI InChI=1S/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11-,12-,15+,16-/m0/s1 InChIKey KKMQGSAQSNGBOY-RKLWJJNISA-N SMILES CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)n1ccc(N)nc1=O)NC(C)=O)C(N)=N Roles Classification Biological Role(s): nucleoside antibiotic (via blasticidin ) View more via ChEBI Ontology ChEBI Ontology Outgoing acetylblasticidin S (CHEBI:2413) has functional parent blasticidin S (CHEBI:15353) acetylblasticidin S (CHEBI:2413) is a acetamide (CHEBI:27856) acetylblasticidin S (CHEBI:2413) is a blasticidin (CHEBI:22905) acetylblasticidin S (CHEBI:2413) is a guanidines (CHEBI:24436) acetylblasticidin S (CHEBI:2413) is a oxacycle (CHEBI:38104) IUPAC Name 1-(4-{[(3S)-3-acetamido-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl)-4-aminopyrimidin-2(1H)-one Synonym Source Acetylblasticidin S KEGG COMPOUND Manual Xref Database C02808 KEGG COMPOUND View more database links Registry Number Type Source 8522748 Reaxys Registry Number Reaxys Citations Types Sources 236272 PubMed citation Europe PMC 23879927 PubMed citation Europe PMC Last Modified 23 January 2015