Enniatin A1

AlkaPlorer ID: AK021044

Synonym: '', 'Enniatin A1'

IUPAC Name: (3R,6R,9S,12R,15S,18R)-9-[(2S)-butan-2-yl]-3-[(2R)-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: CC[C@@H](C)[C@@H]1C(=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)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N1C

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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-/m1/s1

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InChIKey: OWUREPXBPJFMOK-USECSKLKSA-N

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Source

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

Properties Information

Molecule Weight: 667.8850000000002

TPSA: 139.83000000000004

MolLogP: 3.932600000000004

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information