Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017369
PROPERTIES
| NPAID | NPA017369 |
|---|---|
| CLUSTER ID | 2157 |
| NODE ID | 1720 |
| NAME | Esperamicin A2 |
| FORMULA | C57H76N4O22S4 |
| MOLECULAR WEIGHT (Da) | 1297.5090 |
| ACCURATE MASS (Da) | 1296.3834 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | verrucosospora, strain H964-62 |
| InChIKey | HPRFQGMNEDASPB-VPVVSHQUSA-N |
| InChI | InChI=1S/C57H76N4O22S4/c1-27-45(61-83-43-24-36(63)51(84-11)29(3)77-43)47(64)50(80-41-25-38(71-7)34(58-5)26-75-41)55(78-27)79-37-17-15-13-14-16-19-57(69)32(18-20-86-87-85-12)44(37)46(60-56(68)74-10)48(65)52(57)81-42-23-35(62)49(28(2)76-42)82-54(67)31-21-39(72-8)40(73-9)22-33(31)59-53(66)30(4)70-6/h13-14,18,21-22,27-29,34-38,41-43,45,47,49-52,55,58,61-64,69H,4,20,23-26H2,1-3,5-12H3,(H,59,66)(H,60,68)/b14-13-,32-18+/t27?,28?,29?,34?,35?,36?,37-,38?,41?,42?,43?,45?,47?,49?,50?,51?,52?,55?,57+/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)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)O)OC6CC(C(CO6)NC)OC)O)NOC7CC(C(C(O7)C)SC)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 |
