CHEBI:219788 - Beauvenniatin 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 Beauvenniatin D
ChEBI ID CHEBI:219788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H57N3O10
Net Charge 0
Average Mass 751.918
Monoisotopic Mass 751.40440
InChI InChI=1S/C41H57N3O10/c1-23(2)32-41(51)54-34(25(5)6)37(47)43(10)31(22-28-17-19-29(45)20-18-28)40(50)52-33(24(3)4)36(46)42(9)30(21-27-15-13-12-14-16-27)39(49)53-35(26(7)8)38(48)44(32)11/h12-20,23-26,30-35,45H,21-22H2,1-11H3/t30-,31-,32-,33+,34+,35+/m0/s1
InChIKey PFVOZEAOIDHCCR-DULUVLRMSA-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)CC3=CC=C(O)C=C3)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 D (CHEBI:219788) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-benzyl-9-[(4-hydroxyphenyl)methyl]-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
78437637 ChemSpider
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