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CHEBI:225920 - Chrysogeamide E

ChEBI IDCHEBI:225920
ChEBI NameChrysogeamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H55N5O7
Net Charge0
Average Mass657.853
Monoisotopic Mass657.41015
SMILESCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
InChIInChI=1S/C35H55N5O7/c1-8-9-13-23(6)29-19-30(41)36-20-31(42)38-26(16-21(2)3)34(45)39-27(17-22(4)5)33(44)37-24(7)32(43)40-28(35(46)47-29)18-25-14-11-10-12-15-25/h10-12,14-15,21-24,26-29H,8-9,13,16-20H2,1-7H3,(H,36,41)(H,37,44)(H,38,42)(H,39,45)(H,40,43)/t23-,24-,26+,27+,28-,29-/m0/s1
InChIKeyJPYUYFWFAUFFIX-ZVECCUNCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30609359)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chrysogeamide E (CHEBI:225920) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12R,19S)-3-benzyl-19-[(2S)-hexan-2-yl]-6-methyl-9,12-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
71116016ChemSpider