CHEBI:2413 - acetylblasticidin S

Main ChEBI Ontology Automatic Xrefs
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
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Formula C19H28N8O6
Net Charge 0
Average Mass 464.47560
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 )
Application(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
Database Link Database
C02808 KEGG COMPOUND
View more database links
Registry Number Type Source
8522748 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
236272 PubMed citation CiteXplore
23879927 PubMed citation CiteXplore
Last Modified
23 January 2015