Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007704
PROPERTIES
| NPAID | NPA007704 |
|---|---|
| CLUSTER ID | 3409 |
| NODE ID | 2576 |
| NAME | Echinoserine |
| FORMULA | C51H68N12O14S2 |
| MOLECULAR WEIGHT (Da) | 1137.3090 |
| ACCURATE MASS (Da) | 1136.4419 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | tendae strain Tu 4031 |
| InChIKey | IZAHRQDCJNCMKL-RQLJINDISA-N |
| InChI | InChI=1S/C51H68N12O14S2/c1-25(2)38(49(74)75)61(8)47(72)37(60(7)45(70)27(5)54-43(68)35(22-64)58-41(66)33-20-52-29-16-12-14-18-31(29)56-33)24-79-51(78-11)40(48(73)62(9)39(26(3)4)50(76)77)63(10)46(71)28(6)55-44(69)36(23-65)59-42(67)34-21-53-30-17-13-15-19-32(30)57-34/h12-21,25-28,35-40,51,64-65H,22-24H2,1-11H3,(H,54,68)(H,55,69)(H,58,66)(H,59,67)(H,74,75)(H,76,77)/t27-,28-,35+,36+,37?,38-,39-,40?,51?/m0/s1 |
| SMILES | C[C@@H](C(=O)N(C)C(CSC(C(C(=O)N(C)[C@@H](C(C)C)C(=O)O)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)C1=NC2=CC=CC=C2N=C1)SC)C(=O)N(C)[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H](CO)NC(=O)C3=NC4=CC=CC=C4N=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Blum; Fiedler; Groth; Kempter; Stephan; Nicholson; Metzger; Jung Biosynthetic capacities of actinomycetes. 4 echinoserine, a new member of the quinoxaline group, produced by Streptomyces tendae Journal of Antibiotics 1995 48 (7) 619-625. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.619 | PMID | 7649858 |
