CHEBI:222743 - Beauvenniatin 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 Beauvenniatin B
ChEBI ID CHEBI:222743
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H57N3O9
Net Charge 0
Average Mass 687.875
Monoisotopic Mass 687.40948
InChI InChI=1S/C37H57N3O9/c1-20(2)27-36(45)48-29(22(5)6)32(41)38(11)26(19-25-17-15-14-16-18-25)35(44)47-30(23(7)8)33(42)39(12)28(21(3)4)37(46)49-31(24(9)10)34(43)40(27)13/h14-18,20-24,26-31H,19H2,1-13H3/t26-,27-,28-,29+,30+,31+/m0/s1
InChIKey HDFNBENXFQJWEM-JYMVZIKVSA-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]1C(C)C)C)=O)C(C)C)=O)CC2=CC=CC=C2)C)C(C)C)C(C)C)C)C(C)C
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: DOI
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 Beauvenniatin B (CHEBI:222743) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-benzyl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
78438250 ChemSpider
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