Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000223878 | Gold | 2 |
COMPOUND NPA020399
PROPERTIES
| NPAID | NPA020399 |
|---|---|
| CLUSTER ID | 1025 |
| NODE ID | 883 |
| NAME | Quinomycin A |
| FORMULA | C51H64N12O12S2 |
| MOLECULAR WEIGHT (Da) | 1101.2790 |
| ACCURATE MASS (Da) | 1100.4208 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | AUJXLBOHYWTPFV-RQLJINDISA-N |
| InChI | InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27-,28-,35+,36+,37?,38-,39-,40?,51?/m0/s1 |
| SMILES | C[C@H]1C(=O)N(C2CSC(C(C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Martin, DG; Mizsak, SA; Biles, C; Stewart, JC; Bacynsky, L; Meulman, PA STRUCTURE OF QUINOMYCIN ANTIBIOTICS Journal of Antibiotics 1975 28 (4) 332-336. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.28.332 | PMID | 1150534 |
