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CHEBI:188838 - Destruxin E

ChEBI IDCHEBI:188838
ChEBI NameDestruxin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H47N5O8
Net Charge0
Average Mass593.722
Monoisotopic Mass593.34246
SMILES[H][C@@]12CCCN1C(=O)[C@@H](C[C@H]1CO1)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@]([H])([C@@H](C)CC)NC2=O
InChIInChI=1S/C29H47N5O8/c1-8-17(4)23-28(39)33(7)24(16(2)3)29(40)32(6)18(5)25(36)30-12-11-22(35)42-21(14-19-15-41-19)27(38)34-13-9-10-20(34)26(37)31-23/h16-21,23-24H,8-15H2,1-7H3,(H,30,36)(H,31,37)/t17-,18-,19-,20-,21+,23-,24-/m0/s1
InChIKeyNIAYGGCQOYIHAF-OHOJESAGSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Destruxin E (CHEBI:188838) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-[[(2S)-oxiran-2-yl]methyl]-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
28288041ChemSpider
Registry NumbersSources
CAS:76689-14-0ChemIDplus