Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020411
PROPERTIES
NPAID | NPA020411 |
---|---|
CLUSTER ID | 6456 |
NODE ID | 4466 |
NAME | Safracin A |
FORMULA | C28H36N4O6 |
MOLECULAR WEIGHT (Da) | 524.6180 |
ACCURATE MASS (Da) | 524.2635 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Pseudomonas |
ORIGIN SPECIES | fluorescens |
InChIKey | AZDDAJXLYMVMAW-BVFBRMCBSA-N |
InChI | InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16+,18-,19-,22+/m0/s1 |
SMILES | CC1=C(C(=C2[C@H]3[C@@H]4CC5=C([C@@H](N4C[C@H](N3C)CC2=C1)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)O)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Ikeda, Y; Matsuki, H; Ogawa, T; Munakata, T Safracins, new antitumor antibiotics. II. Physicochemical properties and chemical structures Journal of Antibiotics 1983 36 (10) 1284-1289. | ||
---|---|---|---|
DOI | 10.7164/antibiotics.36.1284 | PMID | 6643278 |