Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033116
PROPERTIES
| NPAID | NPA033116 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide B5 |
| FORMULA | C71H118N14O21 |
| MOLECULAR WEIGHT (Da) | 1503.8020 |
| ACCURATE MASS (Da) | 1502.8596 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | ZKJBREDKJOQBBL-MSVAMHAPSA-N |
| InChI | InChI=1S/C71H118N14O21/c1-15-18-44(89)30-42-31-52(92)79-54(38(11)16-2)64(98)83-57(59(93)36(8)9)67(101)75-45(25-26-106-71(73)105)60(94)77-47(27-34(4)5)61(95)76-46(23-24-51(72)91)69(103)84(14)58(39(12)17-3)68(102)82-56(50(90)33-86)66(100)80-53(35(6)7)70(104)85-32-37(10)28-49(85)63(97)78-48(29-41-19-21-43(88)22-20-41)62(96)81-55(40(13)87)65(99)74-42/h19-22,34-40,42,44-50,53-59,86-90,93H,15-18,23-33H2,1-14H3,(H2,72,91)(H2,73,105)(H,74,99)(H,75,101)(H,76,95)(H,77,94)(H,78,97)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,98)/t37?,38-,39+,40-,42-,44?,45+,46+,47-,48-,49+,50?,53-,54+,55+,56-,57-,58+,59?/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)N2CC(C)C[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 |
