Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024895
PROPERTIES
| NPAID | NPA024895 |
|---|---|
| CLUSTER ID | 1025 |
| NODE ID | 883 |
| NAME | Quinomycin I |
| FORMULA | C53H68N12O13S2 |
| MOLECULAR WEIGHT (Da) | 1145.3320 |
| ACCURATE MASS (Da) | 1144.4470 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. HCCB11876 |
| InChIKey | VHHJQOBJTHKUEY-GQPBGUONSA-N |
| InChI | InChI=1S/C53H68N12O13S2/c1-12-27(3)40-51(74)77-24-38(61-44(67)36-23-55-32-19-15-17-21-34(32)59-36)46(69)57-30(6)48(71)65(10)42-50(73)64(9)41(28(4)13-2)52(75)78-25-37(60-43(66)35-22-54-31-18-14-16-20-33(31)58-35)45(68)56-29(5)47(70)62(7)39(49(72)63(40)8)26-80(76)53(42)79-11/h14-23,27-30,37-42,53H,12-13,24-26H2,1-11H3,(H,56,68)(H,57,69)(H,60,66)(H,61,67)/t27-,28-,29-,30-,37+,38+,39-,40-,41-,42+,53?,80?/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)OC[C@H](C(=O)N[C@H](C(=O)N([C@H]2C(S(=O)C[C@@H](C(=O)N1C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)[C@@H](C)CC)NC(=O)C3=NC4=CC=CC=C4N=C3)C)C)SC)C)C)NC(=O)C5=NC6=CC=CC=C6N=C5 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang Z; Shao L; Wang M; Rao M; Ge M; Xu Y Two novel quinomycins discovered by UPLC-MS from Streptomyces sp. HCCB11876. Journal of Antibiotics 2019 72 (3) 164-168. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-018-0132-1 | PMID | 30560938 |
