Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013752
PROPERTIES
| NPAID | NPA013752 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 88-C |
| FORMULA | C57H76N8O15 |
| MOLECULAR WEIGHT (Da) | 1113.2760 |
| ACCURATE MASS (Da) | 1112.5430 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | QVFJAFKXTMGGJM-QNCKKECNSA-N |
| InChI | InChI=1S/C57H76N8O15/c1-8-13-44(68)58-41(28-35-16-20-37(66)21-17-35)50(71)60-40(56(77)78)24-26-45(69)62-48-33(6)80-57(79)47(32(5)9-2)63-52(73)43(30-34-14-11-10-12-15-34)64(7)55(76)49(31(3)4)65-46(70)27-25-39(54(65)75)59-51(72)42(61-53(48)74)29-36-18-22-38(67)23-19-36/h10-12,14-23,31-33,39-43,46-49,66-67,70H,8-9,13,24-30H2,1-7H3,(H,58,68)(H,59,72)(H,60,71)(H,61,74)(H,62,69)(H,63,73)(H,77,78)/t32-,33+,39?,40?,41-,42-,43-,46+,47-,48-,49-/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)CC4=CC=C(C=C4)O)O)C(C)C)C)CC5=CC=CC=C5)[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 | - |
