Thalassosamide
AlkaPlorer ID: AK109337
Synonym: None
IUPAC Name: 4-[[(2R,10R,13R,21R,24R,32R)-21,32-bis(3-carboxypropanoylamino)-5,16,27-trihydroxy-2,13,24-trimethyl-4,11,15,22,26,33-hexaoxo-1,12,23-trioxa-5,16,27-triazacyclotritriacont-10-yl]amino]-4-oxobutanoic acid
Structure
SMILES: C[C@@H]1CC(=O)N(O)CCCC[C@@H](N=C(O)CCC(=O)O)C(=O)O[C@H](C)CC(=O)N(O)CCCC[C@@H](N=C(O)CCC(=O)O)C(=O)O[C@H](C)CC(=O)N(O)CCCC[C@@H](N=C(O)CCC(=O)O)C(=O)O1
InChI: InChI=1S/C42H66N6O21/c1-25-22-34(52)46(64)19-7-5-11-29(44-32(50)14-17-38(57)58)41(62)68-27(3)24-36(54)48(66)21-9-6-12-30(45-33(51)15-18-39(59)60)42(63)69-26(2)23-35(53)47(65)20-8-4-10-28(40(61)67-25)43-31(49)13-16-37(55)56/h25-30,64-66H,4-24H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,55,56)(H,57,58)(H,59,60)/t25-,26-,27-,28-,29-,30-/m1/s1
InChIKey: UQRIZEBFHSXLEZ-VHNXJUCRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalassospira profundimaris | Thalassospira | Thalassospiraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 991.011
TPSA？: 410.19000000000005
MolLogP？: 2.6994000000000105
Number of H-Donors: 9
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00328 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/acs.jnatprod.7b00328 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/acs.jnatprod.7b00328 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00328 |
| None | No relevant target | Activity | nan | None | 10.1021/acs.jnatprod.7b00328 |