Molecule

Enniatins; Enniatin A1

AlkaPlorer ID: AK297451

Synonym: 2-(N-Methyl-L-valine)enniatin A

IUPAC Name: 3,9-di(butan-2-yl)-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

Structure

SMILES: CCC(C)C1C(=O)OC(C(C)C)C(=O)N(C)C(C(C)CC)C(=O)OC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OC(C(C)C)C(=O)N1C

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

InChIKey: OWUREPXBPJFMOK-UHFFFAOYSA-N

Reference

Isolation of cyclodepsipeptides from plant pathogenic fungi

PubChem CID: 15609856

CAS: 4530-21-6

LOTUS: LTS0270108

COCONUT: CNP0245137.4

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NPAtlas: NPA012516

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Fusarium sp.	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Fusarium gibbosum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Alternaria kikuchiana	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Fusarium avenaceum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 667.8850000000002

TPSA？: 139.83000000000004

MolLogP？: 3.932600000000005

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi