Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008190
PROPERTIES
| NPAID | NPA008190 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Lobocyclamide A |
| FORMULA | C59H95N11O15 |
| MOLECULAR WEIGHT (Da) | 1198.4710 |
| ACCURATE MASS (Da) | 1197.7009 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | confervoides |
| InChIKey | UCGPFEODLDUNCV-WYAKQIMPSA-N |
| InChI | InChI=1S/C59H95N11O15/c1-11-15-16-17-37-27-47(75)62-45(31-72)55(81)63-40(14-4)59(85)70-30-39(74)28-46(70)56(82)64-41(22-23-71)52(78)66-44(26-36-18-20-38(73)21-19-36)53(79)65-43(25-33(7)8)54(80)68-50(35(10)13-3)58(84)69-49(34(9)12-2)57(83)67-42(24-32(5)6)51(77)60-29-48(76)61-37/h14,18-21,32-35,37,39,41-46,49-50,71-74H,11-13,15-17,22-31H2,1-10H3,(H,60,77)(H,61,76)(H,62,75)(H,63,81)(H,64,82)(H,65,79)(H,66,78)(H,67,83)(H,68,80)(H,69,84)/b40-14+/t34?,35?,37-,39-,41+,42+,43-,44-,45+,46+,49+,50+/m1/s1 |
| SMILES | CCCCC[C@@H]1CC(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(C)C)C(C)CC)C(C)CC)CC(C)C)CC3=CC=C(C=C3)O)CCO)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | MacMillan, John B.; Ernst-Russell, Michael A.; Ropp, Jeffrey S. de; Molinski, Tadeusz F. Lobocyclamides A-C, Lipopeptides from a Cryptic Cyanobacterial Mat Containing Lyngbya confervoides Journal of Organic Chemistry 2002 67 (23) 8210-8215. | ||
|---|---|---|---|
| DOI | 10.1021/jo0261909 | PMID | 12423153 |
