Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027346
PROPERTIES
| NPAID | NPA027346 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Balticidin D |
| FORMULA | C75H119N11O35 |
| MOLECULAR WEIGHT (Da) | 1734.8190 |
| ACCURATE MASS (Da) | 1733.7870 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | cylindrica Bio33 |
| InChIKey | SVWZKSCWSWYLPR-GGBPWVLZSA-N |
| InChI | InChI=1S/C75H119N11O35/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(118-73-60(103)61(41(91)31-115-73)120-75-59(102)56(99)57(100)62(121-75)71(112)113)54(97)70(111)83-48(33(4)89)65(106)84-49-34(5)116-72(114)40(26-28-45(77)93)81-69(110)51(35(6)117-74-58(101)55(98)53(96)43(30-87)119-74)86(7)46(94)29-78-63(104)39(25-27-44(76)92)80-64(105)38(9-2)79-68(109)50(52(95)36-21-23-37(90)24-22-36)85-66(107)47(32(3)88)82-67(49)108/h9,21-24,32-35,39-43,47-62,73-75,87-91,95-103H,8,10-20,25-31H2,1-7H3,(H2,76,92)(H2,77,93)(H,78,104)(H,79,109)(H,80,105)(H,81,110)(H,82,108)(H,83,111)(H,84,106)(H,85,107)(H,112,113)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1 |
| SMILES | C/C=C1\NC(=O)C(C(O)C2=CC=C(O)C=C2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(CCCCCCCCCCCCC)O[C@@H]2OC[C@@H](O)[C@@H](O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)C(C)O)C(C)OC(=O)[C@@H](CCC(N)=O)NC(=O)C(C(C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)N(C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bui TH; Wray V; Nimtz M; Fossen T; Preisitsch M; Schröder G; Wende K; Heiden SE; Mundt S Balticidins A-D, antifungal hassallidin-like lipopeptides from the Baltic Sea cyanobacterium Anabaena cylindrica Bio33. Journal of Natural Products 2014 77 (6) 1287-1296. | ||
|---|---|---|---|
| DOI | 10.1021/np401020a | PMID | 24937366 |
