Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033112
PROPERTIES
| NPAID | NPA033112 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide B1 |
| FORMULA | C71H118N14O22 |
| MOLECULAR WEIGHT (Da) | 1519.8010 |
| ACCURATE MASS (Da) | 1518.8545 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | IZQUHJWJDZNBAZ-ZLQXIAIFSA-N |
| InChI | InChI=1S/C71H118N14O22/c1-15-18-43(89)29-41-30-50(92)79-52(36(10)16-2)63(98)83-55(58(93)35(8)9)66(101)75-44(25-26-107-71(73)106)60(95)77-46(27-33(4)5)61(96)76-45(23-24-49(72)91)69(104)84(14)56(37(11)17-3)67(102)82-54(48(90)32-86)65(100)80-51(34(6)7)70(105)85-31-38(12)59(94)57(85)68(103)78-47(28-40-19-21-42(88)22-20-40)62(97)81-53(39(13)87)64(99)74-41/h19-22,33-39,41,43-48,51-59,86-90,93-94H,15-18,23-32H2,1-14H3,(H2,72,91)(H2,73,106)(H,74,99)(H,75,101)(H,76,96)(H,77,95)(H,78,103)(H,79,92)(H,80,100)(H,81,97)(H,82,102)(H,83,98)/t36-,37+,38?,39-,41-,43?,44+,45+,46-,47-,48?,51-,52+,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@H](O)[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 |
