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CHEBI:208733 - Scopularide E

ChEBI IDCHEBI:208733
ChEBI NameScopularide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59N5O7
Net Charge0
Average Mass637.863
Monoisotopic Mass637.44145
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](C)C(=O)N[C@@H](C)C(=O)O1
InChIInChI=1S/C33H59N5O7/c1-10-11-12-13-14-21(6)16-22(7)26-17-27(39)34-18-28(40)38-29(20(4)5)32(43)37-25(15-19(2)3)31(42)35-23(8)30(41)36-24(9)33(44)45-26/h19-26,29H,10-18H2,1-9H3,(H,34,39)(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t21-,22-,23-,24-,25+,26-,29-/m0/s1
InChIKeyBVIZHARSPLOVRS-MRIMINFRSA-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 E (CHEBI:208733) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19S)-3,6-dimethyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
77006269ChemSpider