Molecule

Enniatins; Enniatin B, N,N'-Di-de-Me

AlkaPlorer ID: AK082083

Synonym: Enniatin B3

IUPAC Name: 4-methyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CC(C)C1N=C(O)C(C(C)C)OC(=O)C(C(C)C)N=C(O)C(C(C)C)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)OC1=O

InChI: InChI=1S/C31H53N3O9/c1-14(2)20-29(38)41-23(17(7)8)26(35)33-21(15(3)4)30(39)43-25(19(11)12)28(37)34(13)22(16(5)6)31(40)42-24(18(9)10)27(36)32-20/h14-25H,1-13H3,(H,32,36)(H,33,35)

InChIKey: QFFKZYTWXQBSBH-UHFFFAOYSA-N

Reference

Production of enniatins by Fusarium acuminatum and Fusarium compactum in liquid culture: isolation and characterization of three new enniatins, B2, B3, and B4

PubChem CID: 139585593

LOTUS: LTS0275788

COCONUT: CNP0188390

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NPAtlas: NPA008989

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fusarium acuminatum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 611.7770000000003

TPSA？: 164.39

MolLogP？: 4.1486000000000045

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi