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blasticidin S(1+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_57289

A guanidinium ion that is the conjugate acid of blasticidin S.

Term info

Label

blasticidin S(1+)

Synonyms
  • 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
database cross reference
Subsets

3_STAR

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 [ IUPAC ]

charge

+1

formula

C17H27N8O5

has obo namespace

chebi_ontology

has related synonym

blasticidin S

id

CHEBI:57289

inchi

InChI=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

inchikey

CXNPLSGKWMLZPZ-ZNIXKSQXSA-O

mass

423.44630

monoisotopicmass

423.20989

smiles

CN(CC[C@H]([NH3+])CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C([O-])=O)n1ccc(N)nc1=O)C(N)=[NH2+]