Tolaasin B
AlkaPlorer ID: AK158171
Synonym: '(-)-Tolaasin B'
IUPAC Name: None
Structure
SMILES: C/C=C(\N=C(O)C[C@@H](O)CCCC)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]([C@@H](C)CC)C(O)=N[C@@H](CCO)C(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/C93H161N21O25/c1-21-25-29-55(118)43-69(120)97-57(24-4)92(137)114-38-28-31-67(114)85(130)106-65(44-116)83(128)104-63(41-47(7)8)81(126)109-71(50(13)14)88(133)107-66(45-117)84(129)105-64(42-48(9)10)82(127)110-73(52(17)18)89(134)111-72(51(15)16)87(132)100-58(32-33-68(96)119)77(122)103-62(40-46(5)6)80(125)108-70(49(11)12)86(131)98-56(23-3)76(121)113-75-54(20)139-93(138)61(30-26-27-36-94)102-78(123)59(34-37-95)99-79(124)60(35-39-115)101-90(135)74(53(19)22-2)112-91(75)136/h23-24,46-55,58-67,70-75,115-118H,21-22,25-45,94-95H2,1-20H3,(H2,96,119)(H,97,120)(H,98,131)(H,99,124)(H,100,132)(H,101,135)(H,102,123)(H,103,122)(H,104,128)(H,105,129)(H,106,130)(H,107,133)(H,108,125)(H,109,126)(H,110,127)(H,111,134)(H,112,136)(H,113,121)/b56-23-,57-24-/t53-,54+,55-,58+,59+,60-,61+,62+,63-,64+,65+,66-,67-,70-,71+,72+,73-,74-,75-/m0/s1
InChIKey: CUZXLJGPMDNJSI-SNJLTZIISA-N
Reference
Tolaasins A−E, Five New Lipodepsipeptides Produced by <i>Pseudomonas tolaasii</i>
PubChem CID: 163103751
LOTUS: LTS0136970
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas tolaasii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1973.4329999999995
TPSA?: 777.6800000000004
MolLogP?: 11.429669999999993
Number of H-Donors: 25
Number of H-Acceptors: 27
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
