Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716856 | Gold | 3 |
COMPOUND NPA021038
PROPERTIES
| NPAID | NPA021038 |
|---|---|
| CLUSTER ID | 4738 |
| NODE ID | 3439 |
| NAME | Siomycin D1 |
| FORMULA | C70H79N19O18S5 |
| MOLECULAR WEIGHT (Da) | 1634.8520 |
| ACCURATE MASS (Da) | 1633.4454 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sioyanesis |
| InChIKey | GZXVYCZTRLJOKW-MTDZEBIFSA-N |
| InChI | InChI=1S/C70H79N19O18S5/c1-13-36-63-82-43(22-108-63)60(102)88-51(69(12,106)33(11)92)66-84-42(23-111-66)58(100)87-47-32(10)107-67(105)39-18-34(19-90)35-14-15-37(49(93)48(35)78-39)77-45(25(2)3)61(103)76-29(7)55(97)73-27(5)54(96)74-30(8)56(98)89-70(68-85-44(24-112-68)59(101)86-46(31(9)91)62(104)80-36)17-16-38(79-50(70)40-20-110-65(47)81-40)64-83-41(21-109-64)57(99)75-28(6)53(95)72-26(4)52(71)94/h13-15,18,20-21,23-25,30-33,37,43,45-47,49-51,77,90-93,106H,4-7,16-17,19,22H2,1-3,8-12H3,(H2,71,94)(H,72,95)(H,73,97)(H,74,96)(H,75,99)(H,76,103)(H,80,104)(H,86,101)(H,87,100)(H,88,102)(H,89,98)/b36-13-/t30-,31+,32+,33+,37-,43+,45-,46+,47-,49+,50-,51+,69+,70-/m1/s1 |
| SMILES | C/C=C\1/C2=N[C@@H](CS2)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@@H]4[C@@H](OC(=O)C5=NC6=C(C=C[C@H]([C@@H]6O)N[C@@H](C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C(=O)N[C@@]7(CCC(=N[C@@H]7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)N[C@H](C(=O)N1)[C@H](C)O)C)C(C)C)C(=C5)CO)C)[C@](C)([C@H](C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tokura K; Tori K; Yoshimura Y; Okabe K; Otsuka H; Matsushita K; Inagaki F; Miyazawa T THE STRUCTURE OF SIOMYCIN-D1, PEPTIDE ANTIBIOTIC ISOLATED FROM STREPTOMYCES SIOYAENSIS Journal of Antibiotics 1980 33 (12) 1563-1567. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.33.1563 | PMID | 7251492 |
