Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004561
PROPERTIES
| NPAID | NPA004561 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 88-E |
| FORMULA | C54H78N8O14 |
| MOLECULAR WEIGHT (Da) | 1063.2600 |
| ACCURATE MASS (Da) | 1062.5637 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | HVAAQTDXUSPMLD-PHGCHNNYSA-N |
| InChI | InChI=1S/C54H78N8O14/c1-10-15-41(64)55-39(27-34-18-20-35(63)21-19-34)48(68)57-37(53(73)74)22-24-42(65)59-45-32(8)76-54(75)44(31(7)11-2)60-49(69)40(28-33-16-13-12-14-17-33)61(9)52(72)46(30(5)6)62-43(66)25-23-36(51(62)71)56-47(67)38(26-29(3)4)58-50(45)70/h12-14,16-21,29-32,36-40,43-46,63,66H,10-11,15,22-28H2,1-9H3,(H,55,64)(H,56,67)(H,57,68)(H,58,70)(H,59,65)(H,60,69)(H,73,74)/t31-,32+,36?,37?,38-,39-,40-,43+,44-,45-,46-/m0/s1 |
| SMILES | CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CCC(C3=O)NC(=O)[C@@H](NC2=O)CC(C)C)O)C(C)C)C)CC4=CC=CC=C4)[C@@H](C)CC)C)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishida, Keishi; Matsuda, Hisashi; Murakami, Masahiro Micropeptins 88-A to 88-F, chymotrypsin inhibitors from the cyanobacterium Microcystis aeruginosa (NIES-88) Tetrahedron 1998 54 (21) 5545-5556. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(98)00242-7 | PMID | - |
