Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033704
PROPERTIES
| NPAID | NPA033704 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Longibramide A |
| FORMULA | C56H98N12O13 |
| MOLECULAR WEIGHT (Da) | 1147.4710 |
| ACCURATE MASS (Da) | 1146.7376 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | longibrachiatum Rifai DMG-3-1-1 |
| InChIKey | RCQPHKUTRFZJGX-NVUNDZOBSA-N |
| InChI | InChI=1S/C56H98N12O13/c1-29(2)24-35(28-69)58-47(75)39-20-18-22-67(39)52(80)55(14,15)65-46(74)37(26-31(5)6)59-44(72)36(25-30(3)4)60-48(76)40-21-19-23-68(40)53(81)56(16,17)66-50(78)43(33(9)10)63-49(77)42(32(7)8)62-45(73)38(27-41(57)71)61-51(79)54(12,13)64-34(11)70/h29-33,35-40,42-43,69H,18-28H2,1-17H3,(H2,57,71)(H,58,75)(H,59,72)(H,60,76)(H,61,79)(H,62,73)(H,63,77)(H,64,70)(H,65,74)(H,66,78)/t35-,36-,37-,38-,39-,40-,42-,43-/m0/s1 |
| SMILES | CC(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CC(C)C)C(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Shu-Hua; Yang, Jiewei; Ma, Hao; Yang, Yu; Zhou, Guo-Feng; Zhao, Xue; Xu, Rui; Nie, Dan; Zhang, Guo-Gang; Shan, Jun-Jie; Cui, Cheng-Bin; Li, Chang-Wei Longibramides A-E, Peptaibols Isolated from a Mushroom Derived Fungus Trichoderma longibrachiatum Rifai DMG-3-1-1. Chemistry and Biodiversity 2021 18 (5) e2100128. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.202100128 | PMID | 33709565 |
