Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027344
PROPERTIES
| NPAID | NPA027344 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Balticidin B |
| FORMULA | C75H118ClN11O35 |
| MOLECULAR WEIGHT (Da) | 1769.2640 |
| ACCURATE MASS (Da) | 1767.7480 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | cylindrica Bio33 |
| InChIKey | WIWYCHBUTVJEHX-IDUONOJXSA-N |
| InChI | InChI=1S/C75H118ClN11O35/c1-8-17-36(76)18-15-13-11-10-12-14-16-19-42(119-73-60(104)61(41(92)30-116-73)121-75-59(103)56(100)57(101)62(122-75)71(113)114)54(98)70(112)84-48(32(4)90)65(107)85-49-33(5)117-72(115)40(25-27-45(78)94)82-69(111)51(34(6)118-74-58(102)55(99)53(97)43(29-88)120-74)87(7)46(95)28-79-63(105)39(24-26-44(77)93)81-64(106)38(9-2)80-68(110)50(52(96)35-20-22-37(91)23-21-35)86-66(108)47(31(3)89)83-67(49)109/h9,20-23,31-34,36,39-43,47-62,73-75,88-92,96-104H,8,10-19,24-30H2,1-7H3,(H2,77,93)(H2,78,94)(H,79,105)(H,80,110)(H,81,106)(H,82,111)(H,83,109)(H,84,112)(H,85,107)(H,86,108)(H,113,114)/b38-9-/t31?,32?,33?,34?,36?,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(CCCCCCCCCC(Cl)CCC)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 |
