Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019206
PROPERTIES
| NPAID | NPA019206 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Loloatin C |
| FORMULA | C69H86N14O14 |
| MOLECULAR WEIGHT (Da) | 1335.5310 |
| ACCURATE MASS (Da) | 1334.6448 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | CYMXDVUOZGHVJG-OMPQOHMDSA-N |
| InChI | InChI=1S/C69H86N14O14/c1-37(2)28-49-61(89)81-55(30-40-22-24-43(84)25-23-40)69(97)83-27-13-21-56(83)67(95)80-51(31-41-35-72-46-18-10-8-16-44(41)46)63(91)76-50(29-39-14-6-5-7-15-39)62(90)78-53(33-57(71)85)64(92)79-54(34-58(86)87)65(93)77-52(32-42-36-73-47-19-11-9-17-45(42)47)66(94)82-59(38(3)4)68(96)74-48(20-12-26-70)60(88)75-49/h5-11,14-19,22-25,35-38,48-56,59,72-73,84H,12-13,20-21,26-34,70H2,1-4H3,(H2,71,85)(H,74,96)(H,75,88)(H,76,91)(H,77,93)(H,78,90)(H,79,92)(H,80,95)(H,81,89)(H,82,94)(H,86,87)/t48-,49-,50+,51-,52-,53-,54-,55+,56-,59-/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=CNC7=CC=CC=C76)CC8=CC=C(C=C8)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 |
