Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033109
PROPERTIES
| NPAID | NPA033109 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide A1 |
| FORMULA | C60H87N11O16 |
| MOLECULAR WEIGHT (Da) | 1218.4170 |
| ACCURATE MASS (Da) | 1217.6332 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | QVLTZWVEFSYWKB-WWEICQCCSA-N |
| InChI | InChI=1S/C60H87N11O16/c1-7-10-12-17-37-25-49(77)63-45(31-72)54(81)64-41(9-3)59(86)71-30-40(76)27-48(71)57(84)68-46(32-73)55(82)66-43(23-36-18-20-38(74)21-19-36)52(79)65-42(22-33(4)5)53(80)69-51(34(6)8-2)58(85)67-44(24-35-15-13-11-14-16-35)60(87)70-29-39(75)26-47(70)56(83)61-28-50(78)62-37/h9,11,13-16,18-21,33-34,37,39-40,42-48,51,72-76H,7-8,10,12,17,22-32H2,1-6H3,(H,61,83)(H,62,78)(H,63,77)(H,64,81)(H,65,79)(H,66,82)(H,67,85)(H,68,84)(H,69,80)/b41-9+/t34-,37+,39+,40+,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]2C[C@@H](O)CN2C(=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]2C[C@@H](O)CN2C1=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 |
