Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017375
PROPERTIES
| NPAID | NPA017375 |
|---|---|
| CLUSTER ID | 514 |
| NODE ID | 460 |
| NAME | Trichoderin A1 |
| FORMULA | C60H108N10O11 |
| MOLECULAR WEIGHT (Da) | 1145.5830 |
| ACCURATE MASS (Da) | 1144.8199 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | sp. |
| InChIKey | UTAHJHKZUWFBTO-OIVUKLAESA-N |
| InChI | InChI=1S/C60H108N10O11/c1-19-22-23-24-25-26-30-41(8)52(77)70-33-28-32-45(70)49(74)62-44(36-39(6)29-27-31-43(72)21-3)48(73)65-59(14,15)55(80)68-58(12,13)54(79)64-47(40(7)20-2)50(75)63-46(38(4)5)51(76)66-60(16,17)56(81)67-57(10,11)53(78)61-42(9)37-69(18)34-35-71/h27,31,38-42,44-47,71H,19-26,28-30,32-37H2,1-18H3,(H,61,78)(H,62,74)(H,63,75)(H,64,79)(H,65,73)(H,66,76)(H,67,81)(H,68,80)/b31-27+/t39-,40+,41-,42+,44+,45+,46+,47+/m1/s1 |
| SMILES | CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H](C)C/C=C/C(=O)CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pruksakorn, Patamaporn; Arai, Masayoshi; Kotoku, Naoyuki; Vilchèze, Catherine; Baughn, Anthony D; Moodley, Prashini; Jacobs, William R; Kobayashi, Motomasa Trichoderins, novel aminolipopeptides from a marine sponge-derived Trichoderma sp., are active against dormant mycobacteria Bioorganic and Medicinal Chemistry Letters 2010 20 (12) 3658-3663. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2010.04.100 | PMID | 20483615 |
