Tolaasin E
AlkaPlorer ID: AK020226
Synonym: 'Tolaasin E'
IUPAC Name: None
Structure
SMILES: C/C=C(\N=C(O)CC(O)CCCCC)C(=O)N1CCC[C@@H]1C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(O)=N[C@H](CO)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(O)=N[C@H](C(O)=N[C@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(O)=N/C(=C\C)C(O)=N[C@H]1C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@H](CCN)C(O)=N[C@@H](CCCCN)C(=O)O[C@@H]1C)C(C)C)C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C92H159N21O24/c1-21-24-25-29-55(116)42-69(118)97-57(23-3)91(135)113-37-28-31-67(113)85(129)106-65(44-114)83(127)103-63(40-48(8)9)81(125)109-72(51(14)15)88(132)107-66(45-115)84(128)104-64(41-49(10)11)82(126)110-74(53(18)19)89(133)111-73(52(16)17)87(131)100-58(32-33-68(95)117)78(122)102-62(39-47(6)7)80(124)108-71(50(12)13)86(130)99-56(22-2)77(121)112-75-54(20)137-92(136)60(30-26-27-35-93)101-79(123)59(34-36-94)98-70(119)43-96-76(120)61(38-46(4)5)105-90(75)134/h22-23,46-55,58-67,71-75,114-116H,21,24-45,93-94H2,1-20H3,(H2,95,117)(H,96,120)(H,97,118)(H,98,119)(H,99,130)(H,100,131)(H,101,123)(H,102,122)(H,103,127)(H,104,128)(H,105,134)(H,106,129)(H,107,132)(H,108,124)(H,109,125)(H,110,126)(H,111,133)(H,112,121)/b56-22-,57-23-/t54-,55?,58-,59-,60+,61+,62+,63+,64-,65+,66-,67-,71-,72-,73+,74-,75-/m1/s1
InChIKey: ZHVAHWMKMXITOD-IOCIALSMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas tolaasii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1943.4069999999992
TPSA？: 757.4500000000004
MolLogP？: 12.06876999999999
Number of H-Donors: 24
Number of H-Acceptors: 26
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 5.12 | ug | 10.1021/np0303557 |
| Pectobacterium carotovorum | Pectobacterium carotovorum | MIC | 5.12 | ug | 10.1021/np0303557 |
| Priestia megaterium | Priestia megaterium | MIC | 2.56 | ug | 10.1021/np0303557 |
| Rhizoctonia solani | Rhizoctonia solani | MIC | 5.12 | ug | 10.1021/np0303557 |
| Rhodococcus fascians | Rhodococcus fascians | MIC | 2.56 | ug | 10.1021/np0303557 |
| Rhodotorula mucilaginosa | Rhodotorula mucilaginosa | MIC | 5.12 | ug | 10.1021/np0303557 |