Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002997
PROPERTIES
| NPAID | NPA002997 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Loloatin B |
| FORMULA | C67H85N13O14 |
| MOLECULAR WEIGHT (Da) | 1296.4940 |
| ACCURATE MASS (Da) | 1295.6339 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | MIWBQDHORMXYDV-FLSVJYGXSA-N |
| InChI | InChI=1S/C67H85N13O14/c1-37(2)29-47-59(86)78-53(32-41-23-25-43(81)26-24-41)67(94)80-28-14-22-54(80)65(92)77-49(31-40-17-9-6-10-18-40)61(88)73-48(30-39-15-7-5-8-16-39)60(87)75-51(34-55(69)82)62(89)76-52(35-56(83)84)63(90)74-50(33-42-36-70-45-20-12-11-19-44(42)45)64(91)79-57(38(3)4)66(93)71-46(21-13-27-68)58(85)72-47/h5-12,15-20,23-26,36-38,46-54,57,70,81H,13-14,21-22,27-35,68H2,1-4H3,(H2,69,82)(H,71,93)(H,72,85)(H,73,88)(H,74,90)(H,75,87)(H,76,89)(H,77,92)(H,78,86)(H,79,91)(H,83,84)/t46-,47-,48+,49-,50-,51-,52-,53+,54-,57-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[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)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CNC4=CC=CC=C43)CC(=O)O)CC(=O)N)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=C(C=C7)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gerard, Jeffery M.; Haden, Paul; Kelly, Michael T.; Andersen, Raymond J. Loloatins A-D, cyclic decapeptide antibiotics produced in culture by a tropical marine bacterium Journal of Natural Products 1999 62 (1) 80-85. | ||
|---|---|---|---|
| DOI | 10.1021/np980219f | PMID | 9917287 |
