Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017053
PROPERTIES
| NPAID | NPA017053 |
|---|---|
| CLUSTER ID | 2157 |
| NODE ID | 1720 |
| NAME | Esperamicin O1 |
| FORMULA | C59H80N4O23S4 |
| MOLECULAR WEIGHT (Da) | 1341.5620 |
| ACCURATE MASS (Da) | 1340.4096 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | verrucosospora |
| InChIKey | BLYXCXYNIFQBKC-LTLURGKCSA-N |
| InChI | InChI=1S/C59H80N4O23S4/c1-28(2)60-36-27-78-43(25-39(36)74-8)84-52-50(66)47(63-86-45-24-37(64)53(90(13)72)31(5)80-45)29(3)81-57(52)83-38-18-16-14-15-17-20-59(71)34(19-21-88-89-87-12)46(38)48(62-58(70)77-11)51(67)54(59)85-44-26-42(49(65)30(4)79-44)82-56(69)33-22-40(75-9)41(76-10)23-35(33)61-55(68)32(6)73-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)/b15-14-,34-19+/t29?,30?,31?,36?,37?,38-,39?,42?,43?,44?,45?,47?,49?,50?,52?,53?,54?,57?,59+,90?/m0/s1 |
| SMILES | CC1C(C(C(C(O1)O[C@H]2C#C/C=C\C#C[C@@]\3(C(C(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)S(=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Beutler, John A.; Clark, Patrick; Alvarado, A. Belinda; Golik, Jerzy Esperamicin P, the Tetrasulfide Analog of Esperamicin A1 Journal of Natural Products 1994 57 (5) 629-633. | ||
|---|---|---|---|
| DOI | 10.1021/np50107a010 | PMID | 8064295 |
