Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027343
PROPERTIES
| NPAID | NPA027343 |
|---|---|
| CLUSTER ID | 8258 |
| NODE ID | 2091 |
| NAME | Balticidin A |
| FORMULA | C75H120ClN11O36 |
| MOLECULAR WEIGHT (Da) | 1787.2790 |
| ACCURATE MASS (Da) | 1785.7586 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | cylindrica Bio33 |
| InChIKey | MZBSSWIGTROORG-KYMJDTGUSA-N |
| InChI | InChI=1S/C75H120ClN11O36/c1-8-17-36(76)18-15-13-11-10-12-14-16-19-42(120-73-60(105)61(41(93)30-118-73)122-75-59(104)56(101)57(102)62(123-75)72(116)117)54(99)70(113)85-49(33(5)91)66(109)83-47(31(3)89)65(108)84-48(32(4)90)67(110)86-50(52(97)35-20-22-37(92)23-21-35)68(111)80-38(9-2)64(107)81-39(24-26-44(77)94)63(106)79-28-46(96)87(7)51(69(112)82-40(71(114)115)25-27-45(78)95)34(6)119-74-58(103)55(100)53(98)43(29-88)121-74/h9,20-23,31-34,36,39-43,47-62,73-75,88-93,97-105H,8,10-19,24-30H2,1-7H3,(H2,77,94)(H2,78,95)(H,79,106)(H,80,111)(H,81,107)(H,82,112)(H,83,109)(H,84,108)(H,85,113)(H,86,110)(H,114,115)(H,116,117)/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-/m1/s1 |
| SMILES | C/C=C(\NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(CCCCCCCCCC(Cl)CCC)O[C@@H]1OC[C@@H](O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(C)O)C(C)O)C(C)O)C(O)C1=CC=C(O)C=C1)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N(C)C(C(=O)NC(CCC(N)=O)C(=O)O)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
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 |
