Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010034
PROPERTIES
| NPAID | NPA010034 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Schizotrin A |
| FORMULA | C72H107N13O21 |
| MOLECULAR WEIGHT (Da) | 1490.7180 |
| ACCURATE MASS (Da) | 1489.7704 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Schizothrix |
| ORIGIN SPECIES | sp. (TAU strain IL89-2) |
| InChIKey | WQUIFMUZEMMABK-PLYNYAALSA-N |
| InChI | InChI=1S/C72H107N13O21/c1-10-17-58(91)83(8)41(7)72(104)106-45(35-56(89)55(88)32-39(3)4)34-49-61(93)70(102)76-47(28-29-57(73)90)62(94)74-36-59(92)84-30-15-20-53(84)67(99)79-50(33-43-18-13-12-14-19-43)64(96)82-60(40(5)6)69(101)81-52(38-87)65(97)75-46(11-2)63(95)80-51(37-86)66(98)77-48(27-24-42-22-25-44(105-9)26-23-42)71(103)85-31-16-21-54(85)68(100)78-49/h11-14,18-19,22-23,25-26,39-41,45,47-56,60-61,86-89,93H,10,15-17,20-21,24,27-38H2,1-9H3,(H2,73,90)(H,74,94)(H,75,97)(H,76,102)(H,77,98)(H,78,100)(H,79,99)(H,80,95)(H,81,101)(H,82,96)/b46-11+/t41-,45?,47-,48?,49?,50-,51-,52-,53-,54-,55?,56?,60-,61?/m0/s1 |
| SMILES | CCCC(=O)N(C)[C@@H](C)C(=O)OC(CC1C(C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N3CCC[C@H]3C(=O)N1)CCC4=CC=C(C=C4)OC)CO)CO)C(C)C)CC5=CC=CC=C5)CCC(=O)N)O)CC(C(CC(C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pergament, Inna; Carmeli, Shmuel Schizotrin A; a novel antimicrobial cyclic peptide from a cyanobacterium Tetrahedron Letters 1994 35 (45) 8473-8476. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)74436-4 | PMID | - |
