Enniatin A1
AlkaPlorer ID: AK147891
Synonym: None
IUPAC Name: (3S,6R,9S,12R,15S,18R)-3-butan-2-yl-15-butyl-4,10,16-trimethyl-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: CCCC[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(C)CC)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI: InChI=1S/C35H61N3O9/c1-15-17-18-24-33(42)45-28(21(7)8)31(40)37(13)25(19(3)4)34(43)46-29(22(9)10)32(41)38(14)26(23(11)16-2)35(44)47-27(20(5)6)30(39)36(24)12/h19-29H,15-18H2,1-14H3/t23?,24-,25-,26-,27+,28+,29+/m0/s1
InChIKey: VGOLHAPJYMAXRH-CKHUAROESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium oxysporum | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Fusarium tricinctum | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 667.8850000000002
TPSA？: 139.83000000000004
MolLogP？: 4.076700000000005
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 8.0 | ug.mL-1 | 10.1021/np400589h |
| Candida albicans | Candida albicans | IC50 | 2.0 | ug.mL-1 | 10.1021/np050487v |
| Candida albicans | Candida albicans | MIC | 6.25 | ug.mL-1 | 10.1021/np050487v |
| Cryptococcus neoformans | Cryptococcus neoformans | IC50 | 4.5 | ug.mL-1 | 10.1021/np050487v |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 12.5 | ug.mL-1 | 10.1021/np050487v |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 4.0 | ug.mL-1 | 10.1021/np400589h |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/np400589h |
| Mycobacterium intracellulare | Mycobacterium intracellulare | IC50 | 9.0 | ug.mL-1 | 10.1021/np050487v |
| Mycobacterium intracellulare | Mycobacterium intracellulare | MIC | 50.0 | ug.mL-1 | 10.1021/np050487v |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 64.0 | ug.mL-1 | 10.1021/np400589h |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np400589h |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 2.0 | ug.mL-1 | 10.1021/np400589h |