CHEBI:64649 - enniatin B

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ChEBI Name enniatin B
ChEBI ID CHEBI:64649
Definition An enniatin obtained from formal cyclocondensation of three 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 ChemicalBook:CB1677384, eMolecules:29909061, ZINC000049852136
Download Molfile XML SDF
Formula C33H57N3O9
Net Charge 0
Average Mass 639.82040
Monoisotopic Mass 639.40948
InChI InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
InChIKey MIZMDSVSLSIMSC-VYLWARHZSA-N
SMILES CC(C)[C@H]1OC(=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](OC(=O)[C@H](C(C)C)N(C)C1=O)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): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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 B (CHEBI:64649) has role antimicrobial agent (CHEBI:33281)
enniatin B (CHEBI:64649) is a enniatin (CHEBI:64648)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-hexaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xrefs Databases
C00018905 KNApSAcK
C15740 KEGG COMPOUND
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Registry Numbers Types Sources
75191 Reaxys Registry Number Reaxys
917-13-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
28 July 2014