Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027614
PROPERTIES
| NPAID | NPA027614 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 1106 |
| FORMULA | C54H79N11O14 |
| MOLECULAR WEIGHT (Da) | 1106.2890 |
| ACCURATE MASS (Da) | 1105.5808 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | GQAJCNQASKILOK-SBJGWPQUSA-N |
| InChI | InChI=1S/C54H79N11O14/c1-8-14-40(67)58-38(27-33-18-20-34(66)21-19-33)47(71)61-37(52(76)77)22-24-41(68)62-44-31(6)79-53(78)43(30(5)9-2)63-48(72)39(28-32-15-11-10-12-16-32)64(7)51(75)45(29(3)4)65-42(69)25-23-36(50(65)74)60-46(70)35(59-49(44)73)17-13-26-57-54(55)56/h10-12,15-16,18-21,29-31,35-39,42-45,66,69H,8-9,13-14,17,22-28H2,1-7H3,(H,58,67)(H,59,73)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,76,77)(H4,55,56,57)/t30-,31-,35-,36-,37-,38-,39-,42+,43-,44-,45-/m0/s1 |
| SMILES | CCCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Isaacs JD; Strangman WK; Barbera AE; Mallin MA; McIver MR; Wright JL Microcystins and two new micropeptin cyanopeptides produced by unprecedented Microcystis aeruginosa blooms in North Carolina's Cape Fear River. Harmful Algae 2014 31 82-86. | ||
|---|---|---|---|
| DOI | 10.1016/j.hal.2013.09.010 | PMID | 28040114 |
