Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027345
PROPERTIES
| NPAID | NPA027345 |
|---|---|
| CLUSTER ID | 8258 |
| NODE ID | 2091 |
| NAME | Balticidin C |
| FORMULA | C75H121N11O36 |
| MOLECULAR WEIGHT (Da) | 1752.8340 |
| ACCURATE MASS (Da) | 1751.7976 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | cylindrica Bio33 |
| InChIKey | CXWFWZQJPYLHFZ-GGBPWVLZSA-N |
| InChI | InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/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=C(\NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(CCCCCCCCCCCCC)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)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N(C)C(C(=O)N[C@H](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 |
