Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005530
PROPERTIES
| NPAID | NPA005530 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Hassallidin A |
| FORMULA | C62H99N11O24 |
| MOLECULAR WEIGHT (Da) | 1382.5270 |
| ACCURATE MASS (Da) | 1381.6864 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hassallia |
| ORIGIN SPECIES | sp. |
| InChIKey | TZKSEIAJQMPEJX-AQUOXTFPSA-N |
| InChI | InChI=1S/C62H99N11O24/c1-8-10-11-12-13-14-15-16-17-18-40(78)49(82)60(93)71-46(31(4)76)57(90)72-47-32(5)95-61(94)38(24-26-43(64)80)68-59(92)48(33(6)96-62-52(85)51(84)50(83)41(29-74)97-62)73(7)44(81)28-65-53(86)37(23-25-42(63)79)67-54(87)36(9-2)66-55(88)39(27-34-19-21-35(77)22-20-34)69-56(89)45(30(3)75)70-58(47)91/h9,19-22,30-33,37-41,45-52,62,74-78,82-85H,8,10-18,23-29H2,1-7H3,(H2,63,79)(H2,64,80)(H,65,86)(H,66,88)(H,67,87)(H,68,92)(H,69,89)(H,70,91)(H,71,93)(H,72,90)/b36-9-/t30?,31?,32?,33?,37?,38?,39-,40?,41-,45?,46?,47?,48?,49?,50-,51+,52+,62-/m1/s1 |
| SMILES | CCCCCCCCCCCC(C(C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(NC(=O)/C(=C/C)/NC(=O)[C@H](NC(=O)C(NC1=O)C(C)O)CC2=CC=C(C=C2)O)CCC(=O)N)C)C(C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCC(=O)N)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Neuhof, Torsten; Schmieder, Peter; Preussel, Karina; Dieckmann, Ralf; Pham, Huong; Bartl, Franz; Von Doehren, Hans Hassallidin A, a glycosylated lipopeptide with antifungal activity from the cyanobacterium Hassallia sp Journal of Natural Products 2005 68 (5) 695-700. | ||
|---|---|---|---|
| DOI | 10.1021/np049671r | PMID | 15921412 |
