Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033111
PROPERTIES
| NPAID | NPA033111 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide A3 |
| FORMULA | C60H87N11O14 |
| MOLECULAR WEIGHT (Da) | 1186.4190 |
| ACCURATE MASS (Da) | 1185.6434 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | MTWUAQLAECPDDC-BKZVCSFGSA-N |
| InChI | InChI=1S/C60H87N11O14/c1-7-10-12-19-39-31-49(75)63-45(33-72)54(79)64-41(9-3)59(84)71-27-16-21-48(71)57(82)68-46(34-73)55(80)66-43(29-38-22-24-40(74)25-23-38)52(77)65-42(28-35(4)5)53(78)69-51(36(6)8-2)58(83)67-44(30-37-17-13-11-14-18-37)60(85)70-26-15-20-47(70)56(81)61-32-50(76)62-39/h9,11,13-14,17-18,22-25,35-36,39,42-48,51,72-74H,7-8,10,12,15-16,19-21,26-34H2,1-6H3,(H,61,81)(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,80)(H,67,83)(H,68,82)(H,69,78)/b41-9+/t36-,39+,42+,43+,44+,45-,46-,47-,48-,51-/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Heinilä, Lassi Matti Petteri; Fewer, David Peter; Jokela, Jouni Kalevi; Wahlsten, Matti; Ouyang, Xiaodan; Permi, Perttu; Jortikka, Anna; Sivonen, Kaarina The structure and biosynthesis of heinamides A1-A3 and B1-B5, antifungal members of the laxaphycin lipopeptide family Organic & Biomolecular Chemistry 2021 19 (25) 5577-5588. | ||
|---|---|---|---|
| DOI | 10.1039/d1ob00772f | PMID | 34085692 |
