Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028824
PROPERTIES
| NPAID | NPA028824 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin 1007 |
| FORMULA | C49H70N10O13 |
| MOLECULAR WEIGHT (Da) | 1007.1560 |
| ACCURATE MASS (Da) | 1006.5124 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | NXYIQBUCMJLPLM-YSSHBZHUSA-N |
| InChI | InChI=1S/C49H70N10O13/c1-6-7-9-16-37(61)53-34(26-39(63)64)43(66)57-41-28(4)72-48(71)40(27(2)3)56-44(67)35(24-30-17-19-31(60)20-18-30)58(5)47(70)36(25-29-13-10-8-11-14-29)59-38(62)22-21-33(46(59)69)55-42(65)32(54-45(41)68)15-12-23-52-49(50)51/h8,10-11,13-14,17-20,27-28,32-36,38,40-41,60,62H,6-7,9,12,15-16,21-26H2,1-5H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)/t28-,32-,33-,34?,35-,36-,38+,40-,41-/m0/s1 |
| SMILES | CCCCCC(=O)NC(CC(=O)O)C(=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](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Welker M; Brunke M; Preussel K; Lippert I; von Döhren H Diversity and distribution of Microcystis (Cyanobacteria) oligopeptide chemotypes from natural communities studied by single-colony mass spectrometry. Microbiology 2004 150 (Pt 6) 1785-1796. | ||
|---|---|---|---|
| DOI | 10.1099/mic.0.26947-0 | PMID | 15184565 |
