Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012330
PROPERTIES
| NPAID | NPA012330 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Loloatin D |
| FORMULA | C67H85N13O15 |
| MOLECULAR WEIGHT (Da) | 1312.4930 |
| ACCURATE MASS (Da) | 1311.6288 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | GOJSOEQNYFZXTD-XYEPTHLNSA-N |
| InChI | InChI=1S/C67H85N13O15/c1-36(2)26-47-59(87)78-53(29-40-21-23-42(81)24-22-40)67(95)80-35-43(82)31-54(80)65(93)77-49(28-39-16-9-6-10-17-39)61(89)73-48(27-38-14-7-5-8-15-38)60(88)75-51(32-55(69)83)62(90)76-52(33-56(84)85)63(91)74-50(30-41-34-70-45-19-12-11-18-44(41)45)64(92)79-57(37(3)4)66(94)71-46(20-13-25-68)58(86)72-47/h5-12,14-19,21-24,34,36-37,43,46-54,57,70,81-82H,13,20,25-33,35,68H2,1-4H3,(H2,69,83)(H,71,94)(H,72,86)(H,73,89)(H,74,91)(H,75,88)(H,76,90)(H,77,93)(H,78,87)(H,79,92)(H,84,85)/t43-,46+,47+,48-,49+,50+,51+,52+,53-,54+,57+/m1/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](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)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)O)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 |
