Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028415
PROPERTIES
| NPAID | NPA028415 |
|---|---|
| CLUSTER ID | 6511 |
| NODE ID | 141 |
| NAME | Divamide B |
| FORMULA | C79H128N21O29S3+ |
| MOLECULAR WEIGHT (Da) | 1932.2120 |
| ACCURATE MASS (Da) | 1930.8343 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Prochloron |
| ORIGIN SPECIES | didemni |
| InChIKey | BXUPAXDHRCWPIU-CIDQOVMCSA-O |
| InChI | InChI=1S/C79H127N21O29S3/c1-14-33(3)53-72(120)90-47-32-132-39(9)57-77(125)91-46-31-131-38(8)56(75(123)84-36(6)62(110)93-53)96-73(121)54(34(4)15-2)94-69(117)48-20-18-24-99(48)51(105)27-82-63(111)43(28-101)88-64(112)42(86-67(46)115)25-80-23-17-16-19-41(78(126)127)85-76(124)58(97-74(122)55(37(7)103)92-50(104)26-81-71(119)59(98-68(47)116)60(108)79(128)129)40(10)130-30-45(89-70(118)49(100(11,12)13)21-22-52(106)107)66(114)83-35(5)61(109)87-44(29-102)65(113)95-57/h33-49,53-60,80,101-103,108H,14-32H2,1-13H3,(H20-,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,104,106,107,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129)/p+1/t33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-,55-,56+,57+,58+,59-,60+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]3CNCCCC[C@@H](C(=O)O)NC(=O)[C@@H]4NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H]([C@@H](O)C(=O)O)NC(=O)[C@H](CS[C@@H](C)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[N+](C)(C)C)CS[C@H]4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Smith TE; Pond CD; Pierce E; Harmer ZP; Kwan J; Zachariah MM; Harper MK; Wyche TP; Matainaho TK; Bugni TS; Barrows LR; Ireland CM; Schmidt EW Accessing chemical diversity from the uncultivated symbionts of small marine animals. Nature Chemical Biology 2018 14 (2) 179-185. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.2537 | PMID | 29291350 |
