Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004722214 | Gold | 3 |
| CCMSLIB00004722215 | Gold | 3 |
| CCMSLIB00005885146 | Gold | 3 |
COMPOUND NPA027610
PROPERTIES
| NPAID | NPA027610 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Hoshinoamide A |
| FORMULA | C61H95N9O12 |
| MOLECULAR WEIGHT (Da) | 1146.4820 |
| ACCURATE MASS (Da) | 1145.7100 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | penicillata |
| InChIKey | MBRGVPJSDHLXNJ-UMAFDXPGSA-N |
| InChI | InChI=1S/C61H95N9O12/c1-13-41(8)53(66-56(76)47(36-38(2)3)67(9)51(74)27-18-15-19-34-63-50(73)26-20-24-42-28-30-44(71)31-29-42)60(80)69(11)54(40(6)7)57(77)64-45(32-33-49(62)72)55(75)65-52(39(4)5)59(79)68(10)48(37-43-22-16-14-17-23-43)58(78)70-35-21-25-46(70)61(81)82-12/h14,16-17,22-23,28-31,38-41,45-48,52-54,71H,13,15,18-21,24-27,32-37H2,1-12H3,(H2,62,72)(H,63,73)(H,64,77)(H,65,75)(H,66,76)/t41-,45-,46-,47-,48+,52+,53-,54+/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCCCNC(=O)CCCC1=CC=C(O)C=C1)C(=O)N(C)[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwasaki A; Tadenuma T; Sumimoto S; Shiota I; Matsubara T; Saito-Nakano Y; Nozaki T; Sato T; Suenaga K Hoshinoamides A and B, Acyclic Lipopeptides from the Marine Cyanobacterium Caldora penicillata. Journal of Natural Products 2018 81 (11) 2545-2552. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00643 | PMID | 30387355 |
