CHEBI:64650 - enniatin B4

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ChEBI Name enniatin B4
ChEBI ID CHEBI:64650
Definition An enniatin obtained from formal cyclocondensation of one N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-leucine and two N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Rebecca Foulger
Supplier Information
Download Molfile XML SDF
Formula C34H59N3O9
Net Charge 0
Average Mass 653.84700
Monoisotopic Mass 653.42513
InChI InChI=1S/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1
InChIKey PKDCQKBQAKLZBD-SCUYQTRWSA-N
SMILES CC(C)C[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): ionophore
A compound which can carry specific ions through membranes of cells or organelles.
(via enniatin )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via enniatin )
mycotoxin
Poisonous substance produced by fungi.
(via enniatin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing enniatin B4 (CHEBI:64650) is a enniatin (CHEBI:64648)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-isobutyl-6,9,12,15,18-pentaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Synonyms Sources
enniatin D SUBMITTER
Enniatin D KEGG COMPOUND
Manual Xrefs Databases
C00016733 KNApSAcK
C00018906 KNApSAcK
C15757 KEGG COMPOUND
EP1721901 Patent
View more database links
Registry Number Type Source
9306191 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
1399840 PubMed citation Europe PMC
Last Modified
28 July 2014