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CHEBI:16251 - deaminohydroxyblasticidin S

ChEBI IDCHEBI:16251
ChEBI Namedeaminohydroxyblasticidin S
Stars
Secondary ChEBI IDsCHEBI:4341, CHEBI:14106, CHEBI:23568
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H25N7O6
Net Charge0
Average Mass423.430
Monoisotopic Mass423.18663
SMILESCN(CCC(N)CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)nc2=O)O[C@@H]1C(=O)O)C(=N)N
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)/t9?,10-,13+,14-/m0/s1
InChIKeyREIIQZAQCCFGIJ-LBLJTAPMSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
deaminohydroxyblasticidin S (CHEBI:16251) is a blasticidin (CHEBI:22905)
deaminohydroxyblasticidin S (CHEBI:16251) is conjugate base of deaminohydroxyblasticidin S(1+) (CHEBI:57697)
Incoming Relation(s)
deaminohydroxyblasticidin S(1+) (CHEBI:57697) is conjugate acid of deaminohydroxyblasticidin S (CHEBI:16251)
IUPAC Name 
1-{4-[3-amino-5-(N-methylcarbamimidamido)pentanamido]-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl}pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
Deaminohydroxyblasticidin SKEGG COMPOUND
Desaminohydroxyblasticidin-SChemIDplus
Manual XrefsDatabases
C03860KEGG COMPOUND
C03860KEGG COMPOUND
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