Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020973
PROPERTIES
| NPAID | NPA020973 |
|---|---|
| CLUSTER ID | 6581 |
| NODE ID | 3591 |
| NAME | N-acetylisopenicillin N |
| FORMULA | C16H23N3O7S |
| MOLECULAR WEIGHT (Da) | 401.4410 |
| ACCURATE MASS (Da) | 401.1257 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | tokunonensis sp. nov. |
| InChIKey | YQOJKNZHJAWIBN-UIMWLRQOSA-N |
| InChI | InChI=1S/C16H23N3O7S/c1-7(20)17-8(14(23)24)5-4-6-9(21)18-10-12(22)19-11(15(25)26)16(2,3)27-13(10)19/h8,10-11,13H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26)/t8-,10+,11-,13+/m0/s1 |
| SMILES | CC(=O)N[C@@H](CCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shoji J; Hinoo H; Sakazaki R; Kato T; Matsumoto K; Takahashi Y; Kondo E PRODUCTION OF N-ACETYLISOPENICILLIN N AND ISOPENICILLIN N FROM STREPTOMYCES TOKUNONENSIS SP. NOV. Journal of Antibiotics 1982 35 (12) 1646-1650. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.35.1646 | PMID | 7166530 |
