CHEBI:201354 - Desmethylisaridin E

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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 Desmethylisaridin E
ChEBI ID CHEBI:201354
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H51N5O7
Net Charge 0
Average Mass 641.810
Monoisotopic Mass 641.37885
InChI InChI=1S/C34H51N5O7/c1-20(2)18-26-33(44)39-17-11-14-25(39)31(42)36-24(19-23-12-9-8-10-13-23)30(41)37-28(21(3)4)34(45)38(7)29(22(5)6)32(43)35-16-15-27(40)46-26/h8-10,12-13,20-22,24-26,28-29H,11,14-19H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)/t24-,25-,26-,28-,29-/m0/s1
InChIKey RCPWUQRPXYBTHY-PWOFSUAHSA-N
SMILES O=C1N([C@H](C(=O)NCCC(=O)O[C@@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N[C@H]1C(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 Desmethylisaridin E (CHEBI:201354) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,10S,13S,16S,19S)-16-benzyl-11-methyl-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
29784865 ChemSpider
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