EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223665 - Herbicidin G

ChEBI IDCHEBI:223665
ChEBI NameHerbicidin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N5O10
Net Charge0
Average Mass507.456
Monoisotopic Mass507.16014
SMILESC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@@H]3O[C@@]21O
InChIInChI=1S/C21H25N5O10/c1-3-7(2)20(31)35-15-11(27)14(19(29)30)34-9-4-8-13(36-21(9,15)32)12(28)18(33-8)26-6-25-10-16(22)23-5-24-17(10)26/h3,5-6,8-9,11-15,18,27-28,32H,4H2,1-2H3,(H,29,30)(H2,22,23,24)/b7-3+/t8-,9-,11-,12+,13-,14+,15+,18-,21+/m1/s1
InChIKeyODEIJYDLVZTHFG-UEWQHPARSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (511776)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin G (CHEBI:223665) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(1S,3S,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-[(E)-2-methylbut-2-enoyl]oxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
Manual XrefsDatabases
78443117ChemSpider