Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004753001 | Gold | 3 |
| CCMSLIB00004753002 | Gold | 3 |
COMPOUND NPA026721
PROPERTIES
| NPAID | NPA026721 |
|---|---|
| CLUSTER ID | 8074 |
| NODE ID | 546 |
| NAME | Minnamide A |
| FORMULA | C74H132N10O18 |
| MOLECULAR WEIGHT (Da) | 1449.9220 |
| ACCURATE MASS (Da) | 1448.9721 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | hirsuta |
| InChIKey | QGFKIJHYWFMMLE-KPZCQLIWSA-N |
| InChI | InChI=1S/C74H132N10O18/c1-20-22-52(88)31-46(11)32-53(89)33-47(12)34-54(90)35-48(13)36-55(91)38-63(93)77-57(29-42(3)4)71(98)84(18)66(49(14)21-2)70(97)79-59(40-86)67(94)78-58(30-43(5)6)72(99)82(16)64(44(7)8)69(96)80-60(41-87)73(100)83(17)65(45(9)10)74(101)81(15)61(27-28-62(75)92)68(95)76-51(39-85)37-50-23-25-56(102-19)26-24-50/h23-26,42-49,51-55,57-61,64-66,85-91H,20-22,27-41H2,1-19H3,(H2,75,92)(H,76,95)(H,77,93)(H,78,94)(H,79,97)(H,80,96)/t46-,47-,48-,49-,51-,52+,53+,54+,55-,57-,58+,59+,60-,61-,64-,65-,66+/m0/s1 |
| SMILES | CCC[C@@H](O)C[C@H](C)C[C@@H](O)C[C@H](C)C[C@@H](O)C[C@H](C)C[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@@H](CO)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=C(OC)C=C1)C(C)C)C(C)C)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sumimoto, Shimpei; Kobayashi, Masayuki; Sato, Rio; Shinomiya, Seiichi; Iwasaki, Arihiro; Suda, Shoichiro; Teruya, Toshiaki; Inuzuka, Toshiyasu; Ohno, Osamu; Suenaga, Kiyotake Minnamide A, a Linear Lipopeptide from the Marine Cyanobacterium Okeania hirsuta Organic Letters 2019 21 (4) 1187-1190. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b00135 | PMID | 30730753 |
