Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000331
PROPERTIES
| NPAID | NPA000331 |
|---|---|
| CLUSTER ID | 273 |
| NODE ID | 248 |
| NAME | Microcin C51 |
| FORMULA | C42H68N17O19PS |
| MOLECULAR WEIGHT (Da) | 1178.1470 |
| ACCURATE MASS (Da) | 1177.4336 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Escherichia |
| ORIGIN SPECIES | coli |
| InChIKey | FADUSUVPDLFLTR-ILMTYNHGSA-N |
| InChI | InChI=1S/C42H68N17O19PS/c1-20(35(66)57-25(41(71)72)13-29(62)48-9-5-10-75-79(73,74)76-16-27-32(64)33(65)40(77-27)59-18-52-34-26(59)14-47-17-51-34)54-38(69)24(12-28(43)61)55-30(63)15-50-39(70)31(21(2)78-46)58-37(68)23(6-4-8-49-42(44)45)56-36(67)22(53-19-60)7-11-80-3/h14,17-25,27,31-33,40,64-65H,4-13,15-16,46H2,1-3H3,(H2,43,61)(H,48,62)(H,50,70)(H,53,60)(H,54,69)(H,55,63)(H,56,67)(H,57,66)(H,58,68)(H,71,72)(H,73,74)(H4,44,45,49)/t20?,21-,22?,23?,24?,25?,27-,31?,32?,33?,40-/m1/s1 |
| SMILES | C[C@H](C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC(=O)NCCCOP(=O)(O)OC[C@@H]1C(C([C@@H](O1)N2C=NC3=NC=NC=C32)O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC=O)ON |
ORIGINAL ISOLATION REFERENCE
| CITATION | Metlitskaya, A.Z.; Katrukha, G.S.; Shashkov, A.S.; Zaitsev, D.A.; Egorov, Ts.A.; Khmel, I.A. Structure of microcin C51, a new antibiotic with a broad spectrum of activity FEBS Letters 1995 357 (3) 235-238. | ||
|---|---|---|---|
| DOI | 10.1016/0014-5793(94)01345-2 | PMID | - |
