Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005463461 | Gold | 3 |
COMPOUND NPA025459
PROPERTIES
| NPAID | NPA025459 |
|---|---|
| CLUSTER ID | 1122 |
| NODE ID | 960 |
| NAME | Microcolin E |
| FORMULA | C39H63N5O8 |
| MOLECULAR WEIGHT (Da) | 729.9600 |
| ACCURATE MASS (Da) | 729.4677 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | producens |
| InChIKey | IZGRARLNRPFDMM-APCQCXEZSA-N |
| InChI | InChI=1S/C39H63N5O8/c1-13-14-16-25(6)22-26(7)36(48)41(11)31(21-23(2)3)35(47)40-33(28(9)52-29(10)45)38(50)42(12)34(24(4)5)39(51)43-20-15-17-30(43)37(49)44-27(8)18-19-32(44)46/h18-19,21,24-28,30-31,33-34H,13-17,20,22H2,1-12H3,(H,40,47)/t25-,26-,27+,28-,30+,31+,33+,34+/m1/s1 |
| SMILES | CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](C=C(C)C)C(=O)N[C@@H]([C@@H](C)OC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2[C@H](C=CC2=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yu HB; Glukhov E; Li Y; Iwasaki A; Gerwick L; Dorrestein PC; Jiao BH; Gerwick WH Cytotoxic Microcolin Lipopeptides from the Marine Cyanobacterium Moorea producens. Journal of Natural Products 2019 82 (9) 2608-2619. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00549 | PMID | 31468974 |
