CHEBI:201281 - [Phe3,N-MeVal5]-Destruxin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [Phe3,N-MeVal5]-Destruxin B
ChEBI ID CHEBI:201281
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H53N5O7
Net Charge 0
Average Mass 655.837
Monoisotopic Mass 655.39450
InChI InChI=1S/C35H53N5O7/c1-21(2)19-27-34(45)40-18-12-15-26(40)31(42)37-25(20-24-13-10-9-11-14-24)33(44)39(8)30(23(5)6)35(46)38(7)29(22(3)4)32(43)36-17-16-28(41)47-27/h9-11,13-14,21-23,25-27,29-30H,12,15-20H2,1-8H3,(H,36,43)(H,37,42)
InChIKey RTZWJENDDHDLIV-UHFFFAOYSA-N
SMILES O=C1N(C(C(=O)NCCC(=O)OC(CC(C)C)C(N2C(C(NC(C(N(C1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)C(C)C)C
Metabolite of Species Details
Beauveria felina (NCBI:txid37994) See: PubMed
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 [Phe3,N-MeVal5]-Destruxin B (CHEBI:201281) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
16-benzyl-11,14-dimethyl-3-(2-methylpropyl)-10,13-di(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
78444484 ChemSpider
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