Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577491 | Gold | 3 |
COMPOUND NPA017449
PROPERTIES
| NPAID | NPA017449 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Hormothamnin A |
| FORMULA | C60H97N11O14 |
| MOLECULAR WEIGHT (Da) | 1196.4990 |
| ACCURATE MASS (Da) | 1195.7216 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | hormothamnion |
| InChIKey | AQBJITSSPIIUAM-RSBFCROKSA-N |
| InChI | InChI=1S/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14-/t36-,37-,39+,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1 |
| SMILES | CCCCC[C@@H]1CC(=O)N[C@H](C(=O)N/C(=C\C)/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)NCC(=O)N1)CC(C)C)[C@@H](C)CC)[C@@H](C)CC)CC(C)C)CC3=CC=CC=C3)CCO)O)CCO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gerwick, William H.; Jiang, Zhi D.; Agarwal, Santosh K.; Farmer, Bennett T. Total structure of hormothamnin A, A toxic cyclic undecapeptide from the tropical marine cyanobacterium hormothamnion enteromorphoides Tetrahedron 1992 48 (12) 2313-2324. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(01)88753-6 | PMID | - |
