Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020885
PROPERTIES
| NPAID | NPA020885 |
|---|---|
| CLUSTER ID | 6553 |
| NODE ID | 4540 |
| NAME | Chitinovorin D |
| FORMULA | C37H62N14O14S |
| MOLECULAR WEIGHT (Da) | 959.0540 |
| ACCURATE MASS (Da) | 958.4291 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Flavobacterium |
| ORIGIN SPECIES | sp. PB-5246 |
| InChIKey | GCPKIYOLMMZEDT-SXCIVQMSSA-N |
| InChI | InChI=1S/C37H62N14O14S/c1-17(38)29(58)48-21(7-4-10-44-35(40)41)23(53)12-26(56)47-18(2)30(59)49-22(8-5-11-45-36(42)43)24(54)13-27(57)65-14-19-15-66-34-37(46-16-52,33(64)51(34)28(19)32(62)63)50-25(55)9-3-6-20(39)31(60)61/h16-18,20-24,34,53-54H,3-15,38-39H2,1-2H3,(H,46,52)(H,47,56)(H,48,58)(H,49,59)(H,50,55)(H,60,61)(H,62,63)(H4,40,41,44)(H4,42,43,45)/t17-,18-,20-,21+,22-,23-,24+,34-,37-/m0/s1 |
| SMILES | C[C@@H](C(=O)N[C@H](CCCN=C(N)N)[C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)[C@@H](CC(=O)OCC1=C(N2[C@H]([C@@](C2=O)(NC=O)NC(=O)CCC[C@@H](C(=O)O)N)SC1)C(=O)O)O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shoji J; Sakazaki R; Kato T; Terui Y; Matsumoto K; Tanimoto T; Hattori T; Hirooka K; Kondo E ISOLATION OF CHITINOVORIN D Journal of Antibiotics 1985 38 (4) 538-540. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.38.538 | PMID | 3839232 |
