Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033114
PROPERTIES
| NPAID | NPA033114 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide B3 |
| FORMULA | C70H116N14O20 |
| MOLECULAR WEIGHT (Da) | 1473.7760 |
| ACCURATE MASS (Da) | 1472.8490 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | FVJVQDXDYPLEPN-XOVCTIIRSA-N |
| InChI | InChI=1S/C70H116N14O20/c1-14-17-18-20-42-33-51(90)78-53(38(10)15-2)63(96)82-56(58(91)37(8)9)66(99)74-44(28-30-104-70(72)103)59(92)76-46(31-35(4)5)60(93)75-45(26-27-50(71)89)68(101)83(13)57(39(11)16-3)67(100)81-55(49(88)34-85)65(98)79-52(36(6)7)69(102)84-29-19-21-48(84)62(95)77-47(32-41-22-24-43(87)25-23-41)61(94)80-54(40(12)86)64(97)73-42/h22-25,35-40,42,44-49,52-58,85-88,91H,14-21,26-34H2,1-13H3,(H2,71,89)(H2,72,103)(H,73,97)(H,74,99)(H,75,93)(H,76,92)(H,77,95)(H,78,90)(H,79,98)(H,80,94)(H,81,100)(H,82,96)/t38-,39+,40-,42-,44+,45+,46-,47-,48+,49?,52-,53+,54+,55-,56-,57+,58?/m1/s1 |
| SMILES | CCCCC[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 |
