CHEBI:217485 - Beauvericin D

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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 Beauvericin D
ChEBI ID CHEBI:217485
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H55N3O9
Net Charge 0
Average Mass 769.936
Monoisotopic Mass 769.39383
InChI InChI=1S/C44H55N3O9/c1-27(2)36-39(48)45-33(24-30-18-12-9-13-19-30)42(51)55-37(28(3)4)40(49)47(8)35(26-32-22-16-11-17-23-32)44(53)56-38(29(5)6)41(50)46(7)34(43(52)54-36)25-31-20-14-10-15-21-31/h9-23,27-29,33-38H,24-26H2,1-8H3,(H,45,48)/t33-,34-,35-,36+,37+,38+/m0/s1
InChIKey CPKHOIZGUQVKAF-YAQJXRFXSA-N
SMILES O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N[C@H](C(O[C@@H](C(N([C@H]1CC2=CC=CC=C2)C)=O)C(C)C)=O)CC3=CC=CC=C3)C(C)C)CC4=CC=CC=C4)C)C(C)C
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 Beauvericin D (CHEBI:217485) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10-dimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
2277522 ChemSpider
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