CHEBI:64652 - enniatin A1

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ChEBI Name enniatin A1
ChEBI ID CHEBI:64652
Definition An enniatin obtained from formal cyclocondensation of one N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine and two N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-isoleucine units.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Rebecca Foulger
Supplier Information
Download Molfile XML SDF
Formula C35H61N3O9
Net Charge 0
Average Mass 667.87350
Monoisotopic Mass 667.44078
InChI InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1
InChIKey OWUREPXBPJFMOK-CIRFPNLUSA-N
SMILES CC[C@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H]([C@@H](C)CC)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 A1 (CHEBI:64652) is a enniatin (CHEBI:64648)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9-di[(2S)-butan-2-yl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Synonym Source
Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl) ChemIDplus
Registry Numbers Types Sources
4530-21-6 CAS Registry Number ChemIDplus
7614446 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15313225 PubMed citation Europe PMC
15370831 PubMed citation Europe PMC
15508309 PubMed citation Europe PMC
16562855 PubMed citation Europe PMC
19065580 PubMed citation Europe PMC
21352844 PubMed citation Europe PMC
21621786 PubMed citation Europe PMC
22070284 PubMed citation Europe PMC
612304 Chinese Abstracts citation Europe PMC
IND43749602 Agricola citation Europe PMC
IND44182835 Agricola citation Europe PMC
Last Modified
24 May 2012