Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 10:43:59 UTC
Update Date2022-12-15 22:51:45 UTC
Metabolite IDMMDBc0020587
Metabolite Identification
Common NameBlasticidin S
Descriptionblasticidin S belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene. blasticidin S is a very strong basic compound (based on its pKa).
Structure
Synonyms
ValueSource
Blasticidin-SChEBI
Blasticidin S, dodecyl sulfate, (S)-isomerMeSH
Blasticidin S, hydrochloride, (S)-isomerMeSH
Blasticidin S, monohydrochloride, (S)-isomerMeSH
Blasticidin S, methyl sulfate, (S)-isomerMeSH
Blasticidin S, carbamodithioate, (S)-isomerMeSH
Molecular FormulaC17H26N8O5
Average Mass422.4389
Monoisotopic Mass422.202615982
IUPAC Name(2S,3S,6R)-3-{[(3S)-3-amino-1-hydroxy-5-(1-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Traditional Nameblasticidin S
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CCN(C)C(N)=N)CC(O)=N[C@@]1([H])C=C[C@@]([H])(O[C@]1([H])C(O)=O)N1C=CC(=N)N=C1O
InChI Identifier
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)/t9-,10-,13+,14-/m0/s1
InChI KeyCXNPLSGKWMLZPZ-ZNIXKSQXSA-N