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CHEBI:208745 - Scopularide G

ChEBI IDCHEBI:208745
ChEBI NameScopularide G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65N5O7
Net Charge0
Average Mass679.944
Monoisotopic Mass679.48840
SMILESCCCCCC[C@H](C)C[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C36H65N5O7/c1-11-13-14-15-16-24(9)18-25(10)28-19-29(42)37-20-30(43)40-31(22(5)6)35(46)39-27(17-21(3)4)34(45)38-26(12-2)33(44)41-32(23(7)8)36(47)48-28/h21-28,31-32H,11-20H2,1-10H3,(H,37,42)(H,38,45)(H,39,46)(H,40,43)(H,41,44)/t24-,25-,26-,27+,28-,31-,32-/m0/s1
InChIKeyMFAMPZDMMVTXQD-CKQAOITASA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (31426405)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Scopularide G (CHEBI:208745) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19S)-6-ethyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
77006271ChemSpider