EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57697 - deaminohydroxyblasticidin S(1+)

ChEBI IDCHEBI:57697
ChEBI Namedeaminohydroxyblasticidin S(1+)
Stars
DefinitionConjugate acid of deaminohydroxyblasticidin S having an anionic carboxy group and protonated primary amino and guanidino groups; major species at pH 7.3.
Last Modified3 April 2015
DownloadsMolfile
FormulaC17H26N7O6
Net Charge+1
Average Mass424.438
Monoisotopic Mass424.19391
SMILESCN(CCC([NH3+])CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]
InChIInChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/p+1/t9?,10-,13+,14-/m0/s1
InChIKeyREIIQZAQCCFGIJ-LBLJTAPMSA-O
ChEBI Ontology
Outgoing Relation(s)
deaminohydroxyblasticidin S(1+) (CHEBI:57697) is a ammonium ion derivative (CHEBI:35274)
deaminohydroxyblasticidin S(1+) (CHEBI:57697) is conjugate acid of deaminohydroxyblasticidin S (CHEBI:16251)
Incoming Relation(s)
deaminohydroxyblasticidin S (CHEBI:16251) is conjugate base of deaminohydroxyblasticidin S(1+) (CHEBI:57697)
Synonym  Source
deaminohydroxyblasticidin S cationChEBI
UniProt Name  Source
deaminohydroxyblasticidin SUniProt