Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017432
PROPERTIES
| NPAID | NPA017432 |
|---|---|
| CLUSTER ID | 2157 |
| NODE ID | 1720 |
| NAME | Esperamicin A1 |
| FORMULA | C59H80N4O22S4 |
| MOLECULAR WEIGHT (Da) | 1325.5630 |
| ACCURATE MASS (Da) | 1324.4147 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | verrucosospora, strain H964-62 |
| InChIKey | LJQQFQHBKUKHIS-IIZLOWFNSA-N |
| InChI | InChI=1S/C59H80N4O22S4/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/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-/m1/s1 |
| SMILES | C=C(OC)C(=O)NC1=CC(OC)=C(OC)C=C1C(=O)O[C@H]1C[C@H](O[C@@H]2C(=O)C(NC(=O)OC)=C3/C(=C\CSSSC)[C@]2(O)C#C/C=C\C#C[C@@H]3O[C@@H]2O[C@H](C)[C@@H](NO[C@H]3C[C@H](O)[C@H](SC)[C@@H](C)O3)[C@H](O)[C@H]2O[C@H]2C[C@H](OC)[C@@H](NC(C)C)CO2)O[C@@H](C)[C@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | KONISHI, MASATAKA; OHKUMA, HIROAKI; SAITOH, KYO-ICHIRO; KAWAGUCHI, HIROSHI; GOLIK, JERZY; DUBAY, GEORGE; GROENEWOLD, GARY; KRISHNAN, BALA; DOYLE, TERRENCE W Esperamicins, a novel class of potent antitumor antibiotics Journal of Antibiotics 1985 38 (11) 1605-1609. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.38.1605 | PMID | 4077737 |
