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CHEBI:227444 - Cystocin

ChEBI IDCHEBI:227444
ChEBI NameCystocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25N7O4S
Net Charge0
Average Mass411.488
Monoisotopic Mass411.16887
SMILESCSC[C@H](N)C(=O)N[C@@H]1C(CO)OC(n2cnc3c(N(C)C)ncnc32)[C@@H]1O
InChIInChI=1S/C16H25N7O4S/c1-22(2)13-11-14(19-6-18-13)23(7-20-11)16-12(25)10(9(4-24)27-16)21-15(26)8(17)5-28-3/h6-10,12,16,24-25H,4-5,17H2,1-3H3,(H,21,26)/t8-,9?,10+,12+,16?/m0/s1
InChIKeyINAIUCSAMKOUMV-MYIMGPFRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1007/bf02976859)
ChEBI Ontology
Outgoing Relation(s)
Cystocin (CHEBI:227444) is a 3'-deoxyribonucleoside (CHEBI:36987)
Cystocin (CHEBI:227444) is a purines (CHEBI:26401)
IUPAC Name 
(2R)-2-amino-N-[(3S,4R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylsulanylpropanamide
Manual XrefsDatabases
78439763ChemSpider