Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018268
PROPERTIES
| NPAID | NPA018268 |
|---|---|
| CLUSTER ID | 2157 |
| NODE ID | 1720 |
| NAME | Esperamicin A1b |
| FORMULA | C58H78N4O22S4 |
| MOLECULAR WEIGHT (Da) | 1311.5360 |
| ACCURATE MASS (Da) | 1310.3991 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | verrucosospora, strain H964-62 |
| InChIKey | XRUOAZDGFKHLOS-SWIZYSBBSA-N |
| InChI | InChI=1S/C58H78N4O22S4/c1-13-59-35-27-76-42(26-39(35)72-7)81-51-48(65)46(62-84-44-25-37(64)52(85-11)30(4)78-44)28(2)79-56(51)80-38-18-16-14-15-17-20-58(70)33(19-21-87-88-86-12)45(38)47(61-57(69)75-10)49(66)53(58)82-43-24-36(63)50(29(3)77-43)83-55(68)32-22-40(73-8)41(74-9)23-34(32)60-54(67)31(5)71-6/h14-15,19,22-23,28-30,35-39,42-44,46,48,50-53,56,59,62-65,70H,5,13,21,24-27H2,1-4,6-12H3,(H,60,67)(H,61,69)/b15-14-,33-19+/t28?,29?,30?,35?,36?,37?,38-,39?,42?,43?,44?,46?,48?,50?,51?,52?,53?,56?,58+/m0/s1 |
| SMILES | CCNC1COC(CC1OC)OC2C(C(C(OC2O[C@H]3C#C/C=C\C#C[C@@]\4(C(C(=O)C(=C3/C4=C\CSSSC)NC(=O)OC)OC5CC(C(C(O5)C)OC(=O)C6=CC(=C(C=C6NC(=O)C(=C)OC)OC)OC)O)O)C)NOC7CC(C(C(O7)C)SC)O)O |
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 |
