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CHEBI:201457 - Blasticidin S Hydrochloride

ChEBI IDCHEBI:201457
ChEBI NameBlasticidin S Hydrochloride
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26N8O5.HCl
Net Charge0
Average Mass458.907
Monoisotopic Mass458.17929
SMILESCN(CCC(N)CC(=O)NC1C=CC(n2ccc(N)nc2=O)OC1C(=O)O)C(=N)N.Cl
InChIInChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H
InChIKeyYQXYQOXRCNEATG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Blasticidin S Hydrochloride (CHEBI:201457) is a hydroxypyrimidine (CHEBI:38340)
IUPAC Name 
(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride
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