Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002724
PROPERTIES
| NPAID | NPA002724 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Loloatin A |
| FORMULA | C65H84N12O15 |
| MOLECULAR WEIGHT (Da) | 1273.4560 |
| ACCURATE MASS (Da) | 1272.6179 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | OSZSVIMATNAOIP-AGWJQUSNSA-N |
| InChI | InChI=1S/C65H84N12O15/c1-36(2)29-45-57(84)75-51(33-41-21-25-43(79)26-22-41)65(92)77-28-12-18-52(77)63(90)74-47(31-39-15-9-6-10-16-39)59(86)70-46(30-38-13-7-5-8-14-38)58(85)72-49(34-53(67)80)60(87)73-50(35-54(81)82)61(88)71-48(32-40-19-23-42(78)24-20-40)62(89)76-55(37(3)4)64(91)68-44(17-11-27-66)56(83)69-45/h5-10,13-16,19-26,36-37,44-52,55,78-79H,11-12,17-18,27-35,66H2,1-4H3,(H2,67,80)(H,68,91)(H,69,83)(H,70,86)(H,71,88)(H,72,85)(H,73,87)(H,74,90)(H,75,84)(H,76,89)(H,81,82)/t44-,45-,46+,47-,48-,49-,50-,51+,52-,55-/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=CC=C(C=C3)O)CC(=O)O)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=C(C=C6)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 |
