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CHEBI:57289 - blasticidin S(1+)

ChEBI IDCHEBI:57289
ChEBI Nameblasticidin S(1+)
Stars
DefinitionA guanidinium ion that is the conjugate acid of blasticidin S.
Last Modified15 July 2015
DownloadsMolfile
FormulaC17H27N8O5
Net Charge+1
Average Mass423.454
Monoisotopic Mass423.20989
SMILES[H][C@]1(n2ccc(N)nc2=O)C=C[C@H](NC(=O)C[C@@H]([NH3+])CCN(C)C(N)=[NH2+])[C@@]([H])(C(=O)[O-])O1
InChIInChI=1S/C17H26N8O5/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)/p+1/t9-,10-,13+,14-/m0/s1
InChIKeyCXNPLSGKWMLZPZ-ZNIXKSQXSA-O
Roles Classification
Biological Role:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
blasticidin S(1+) (CHEBI:57289) is a antibiotic antifungal agent (CHEBI:86478)
blasticidin S(1+) (CHEBI:57289) is a guanidinium ion (CHEBI:60251)
blasticidin S(1+) (CHEBI:57289) is conjugate acid of blasticidin S (CHEBI:15353)
Incoming Relation(s)
blasticidin S (CHEBI:15353) is conjugate base of blasticidin S(1+) (CHEBI:57289)
IUPAC Name 
4-amino-1-(4-{[(3S)-3-ammonio-5-{[ammonio(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranosyluronosyl)pyrimidin-2(1H)-one
UniProt Name  Source
blasticidin SUniProt
Manual XrefsDatabases
BLASTICIDIN-SMetaCyc