CHEBI:202345 - Beauveriolide IV

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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 Beauveriolide IV
ChEBI ID CHEBI:202345
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H39N3O5
Net Charge 0
Average Mass 425.570
Monoisotopic Mass 425.28897
InChI InChI=1S/C22H39N3O5/c1-8-9-10-14(6)16-11-17(26)24-18(12(2)3)21(28)23-15(7)20(27)25-19(13(4)5)22(29)30-16/h12-16,18-19H,8-11H2,1-7H3,(H,23,28)(H,24,26)(H,25,27)/t14?,15-,16?,18-,19+/m0/s1
InChIKey YVEIVEAWQYFHFP-KRELLBQZSA-N
SMILES O=C1OC(C(CCCC)C)CC(=O)N[C@@H](C(C)C)C(N[C@H](C(N[C@@H]1C(C)C)=O)C)=O
Metabolite of Species Details
Beauveria (NCBI:txid5581) 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 )
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ChEBI Ontology
Outgoing Beauveriolide IV (CHEBI:202345) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6S,9S)-13-hexan-2-yl-6-methyl-3,9-di(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Manual Xref Database
8378156 ChemSpider
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