Molecule

Enniatin J2

AlkaPlorer ID: AK019992

Synonym: None

IUPAC Name: (3S,6R,9S,12R,18R)-3-[(2S)-butan-2-yl]-4,10,15,16-tetramethyl-6,9,12,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)C(C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C

InChI: InChI=1S/C32H55N3O9/c1-15-20(10)23-32(41)44-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)28(37)34(13)22(16(2)3)31(40)43-26(19(8)9)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21?,22-,23-,24+,25+,26+/m0/s1

InChIKey: XAMQMLHUKZPWHG-BXEKCNPMSA-N

Reference

Enniatins ofFusariumsp. Strain F31 and Their Inhibition ofBotrytiscinereaSpore Germination

PubChem CID: 139583264

LOTUS: LTS0075718

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NPAtlas: NPA000641

Source

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

Properties Information

Molecule Weight: 625.8040000000001

TPSA？: 139.83000000000004

MolLogP？: 2.906400000000005

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi