Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013181
PROPERTIES
| NPAID | NPA013181 |
|---|---|
| CLUSTER ID | 4876 |
| NODE ID | 3513 |
| NAME | Goadsporin |
| FORMULA | C72H97N19O20S2 |
| MOLECULAR WEIGHT (Da) | 1612.8150 |
| ACCURATE MASS (Da) | 1611.6599 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. TP-A0584 |
| InChIKey | JYUWJUDWHAUBBT-SQDQPZCFSA-N |
| InChI | InChI=1S/C72H97N19O20S2/c1-19-33(10)53(89-67(105)56-40(17)111-70(91-56)37(14)79-63(101)51(31(6)7)87-66(104)55-39(16)110-69(90-55)36(13)76-41(18)93)64(102)82-43(21-30(4)5)71-85-47(28-113-71)61(99)83-44(25-92)58(96)74-22-48(94)73-23-49-86-54(38(15)109-49)65(103)81-42(20-29(2)3)59(97)78-35(12)68-84-45(26-108-68)60(98)77-34(11)57(95)75-24-50-80-46(27-112-50)62(100)88-52(32(8)9)72(106)107/h26-34,36,42-44,51-53,92H,12,14,19-25H2,1-11,13,15-18H3,(H,73,94)(H,74,96)(H,75,95)(H,76,93)(H,77,98)(H,78,97)(H,79,101)(H,81,103)(H,82,102)(H,83,99)(H,87,104)(H,88,100)(H,89,105)(H,106,107)/t33-,34-,36-,42-,43-,44-,51-,52-,53-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C1=NC(=CS1)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC2=NC(=C(O2)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(=C)C3=NC(=CO3)C(=O)N[C@@H](C)C(=O)NCC4=NC(=CS4)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C5=C(OC(=N5)C(=C)NC(=O)[C@H](C(C)C)NC(=O)C6=C(OC(=N6)[C@H](C)NC(=O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Igarashi, Y; Kan, Y; Fujii, K; Fujita, T; Harada, K; Naoki, H; Tabata, H; Onaka, H; Furumai, T Goadsporin, a chemical substance which promotes secondary metabolism and Morphogenesis in streptomycetes. II. Structure determination Journal of Antibiotics 2001 54 (12) 1045-1053. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.1045 | PMID | 11858659 |
