CHEBI:207307 - Beauveriolide III

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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 III
ChEBI ID CHEBI:207307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H41N3O5
Net Charge 0
Average Mass 487.641
Monoisotopic Mass 487.30462
InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18+,19+,21+,22+,24-/m1/s1
InChIKey VEELKRGSLCNVAR-GXBUOAPDSA-N
SMILES O=C1O[C@H]([C@H](CCCC)C)CC(=O)N[C@@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@@H]1[C@@H](CC)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Beauveriolide III (CHEBI:207307) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6S,9S,13S)-9-benzyl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Manual Xref Database
8752324 ChemSpider
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