Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028542
PROPERTIES
| NPAID | NPA028542 |
|---|---|
| CLUSTER ID | 7832 |
| NODE ID | 3101 |
| NAME | Cycloheptamycin |
| FORMULA | C48H68N8O12 |
| MOLECULAR WEIGHT (Da) | 949.1160 |
| ACCURATE MASS (Da) | 948.4957 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | ASSZAURWVSBFSV-UHFFFAOYSA-N |
| InChI | InChI=1S/C48H68N8O12/c1-12-26(5)41-45(62)54-40(37(58)13-2)47(64)55(8)36(21-30-23-49-34-19-18-32(67-11)22-33(30)34)48(65)68-28(7)39(53-43(60)38(25(3)4)50-24-57)44(61)52-35(20-29-14-16-31(66-10)17-15-29)42(59)51-27(6)46(63)56(41)9/h14-19,22-28,35-41,49,58H,12-13,20-21H2,1-11H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62) |
| SMILES | CCC(C)C1C(=O)NC(C(O)CC)C(=O)N(C)C(CC2=C[NH]C3=C2C=C(OC)C=C3)C(=O)OC(C)C(NC(=O)C(NC=O)C(C)C)C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)NC(C)C(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Godtfredsen WO, Vangedal S, Thomas DW Cycloheptamycin, a new peptide antibiotic : Structure determination by mass spectrometry Tetrahedron 1970 26 (21) 4931-4946. | ||
|---|---|---|---|
| DOI | 10.1016/S0040-4020(01)93145-X | PMID | 5500058 |
