Terminology Service for NFDI4Health
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acetylblasticidin S

Go to external page http://purl.obolibrary.org/obo/CHEBI_2413

A member of the class of blasticidins that is blasticidin S in which the side-chain amino group is acetylated.

Term info

Label

acetylblasticidin S

Synonyms
  • 1-(4-{[(3S)-3-acetamido-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)-4-aminopyrimidin-2(1H)-one
  • Acetylblasticidin S
database cross reference
Subsets

3_STAR

IUPAC NAME
1-(4-{[(3S)-3-acetamido-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)-4-aminopyrimidin-2(1H)-one [ IUPAC ]

charge

0

formula

C19H28N8O6

has obo namespace

chebi_ontology

id

CHEBI:2413

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

mass

464.47560

monoisotopicmass

464.21318

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