Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017429
PROPERTIES
| NPAID | NPA017429 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Lobocyclamide C |
| FORMULA | C63H111N13O20 |
| MOLECULAR WEIGHT (Da) | 1370.6520 |
| ACCURATE MASS (Da) | 1369.8068 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | IEELHQHOEPWJSV-XSAXUJGHSA-N |
| InChI | InChI=1S/C63H111N13O20/c1-16-18-19-20-36-24-43(83)69-44(29(5)6)56(89)74-48(51(84)30(7)8)59(92)65-33(12)53(86)73-49(52(85)31(9)10)60(93)67-38(21-22-42(64)82)62(95)75(15)50(32(11)17-2)61(94)72-47(41(81)27-77)58(91)71-46(35(14)79)63(96)76-26-37(80)25-40(76)55(88)68-39(23-28(3)4)54(87)70-45(34(13)78)57(90)66-36/h28-41,44-52,77-81,84-85H,16-27H2,1-15H3,(H2,64,82)(H,65,92)(H,66,90)(H,67,93)(H,68,88)(H,69,83)(H,70,87)(H,71,91)(H,72,94)(H,73,86)(H,74,89)/t32?,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46-,47+,48+,49+,50-,51-,52-/m0/s1 |
| SMILES | CCCCC[C@@H]1CC(=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)N[C@@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(C)C)O)[C@@H](C)O)[C@H](CO)O)C(C)CC)C)CCC(=O)N)[C@H](C(C)C)O)C)[C@H](C(C)C)O)C(C)C |
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 |
