CHEBI:188838 - Destruxin E

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ChEBI Name Destruxin E
ChEBI ID CHEBI:188838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H47N5O8
Net Charge 0
Average Mass 593.722
Monoisotopic Mass 593.34246
InChI InChI=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
InChIKey NIAYGGCQOYIHAF-OHOJESAGSA-N
SMILES O1[C@@H](C[C@H]2OC(=O)CCNC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@](NC(=O)[C@]3(N(CCC3)C2=O)[H])([C@H](CC)C)[H])C)C(C)C)C)C)C1
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
28288041 ChemSpider
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Registry Number Type Source
76689-14-0 CAS Registry Number ChemIDplus