CHEBI:223665 - Herbicidin G

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Herbicidin G
ChEBI ID CHEBI:223665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N5O10
Net Charge 0
Average Mass 507.456
Monoisotopic Mass 507.16014
InChI InChI=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
InChIKey ODEIJYDLVZTHFG-UEWQHPARSA-N
SMILES O=C(O[C@@H]1[C@]2(O[C@H]3[C@H](O)[C@H](N4C5=NC=NC(=C5N=C4)N)O[C@@H]3C[C@H]2O[C@@H]([C@H]1O)C(=O)O)O)/C(=C/C)/C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78443117 ChemSpider
View more database links