Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033113
PROPERTIES
| NPAID | NPA033113 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide B2 |
| FORMULA | C70H116N14O21 |
| MOLECULAR WEIGHT (Da) | 1489.7750 |
| ACCURATE MASS (Da) | 1488.8439 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | HOHFUOUUBIGTHJ-DCCNVSEVSA-N |
| InChI | InChI=1S/C70H116N14O21/c1-14-18-43(88)31-41-32-51(91)78-53(37(10)15-2)63(97)82-56(58(92)36(8)9)66(100)74-44(26-28-105-70(72)104)59(93)76-46(29-34(4)5)60(94)75-45(24-25-50(71)90)68(102)83(13)57(38(11)16-3)67(101)81-55(49(89)33-85)65(99)79-52(35(6)7)69(103)84-27-17-19-48(84)62(96)77-47(30-40-20-22-42(87)23-21-40)61(95)80-54(39(12)86)64(98)73-41/h20-23,34-39,41,43-49,52-58,85-89,92H,14-19,24-33H2,1-13H3,(H2,71,90)(H2,72,104)(H,73,98)(H,74,100)(H,75,94)(H,76,93)(H,77,96)(H,78,91)(H,79,99)(H,80,95)(H,81,101)(H,82,97)/t37-,38+,39-,41-,43?,44+,45+,46-,47-,48+,49?,52-,53+,54+,55-,56-,57+,58?/m1/s1 |
| SMILES | CCCC(O)C[C@@H]1CC(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@H](C(O)C(C)C)C(=O)N[C@@H](CCOC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(O)CO)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |
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 |
