Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001791
PROPERTIES
| NPAID | NPA001791 |
|---|---|
| CLUSTER ID | 1136 |
| NODE ID | 971 |
| NAME | Adipyl-7-aminocephalosporanic acid |
| FORMULA | C16H20N2O8S |
| MOLECULAR WEIGHT (Da) | 400.4090 |
| ACCURATE MASS (Da) | 400.0940 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | chrysogenum |
| InChIKey | SDDISZQGGKXBSJ-IUODEOHRSA-N |
| InChI | InChI=1S/C16H20N2O8S/c1-8(19)26-6-9-7-27-15-12(14(23)18(15)13(9)16(24)25)17-10(20)4-2-3-5-11(21)22/h12,15H,2-7H2,1H3,(H,17,20)(H,21,22)(H,24,25)/t12-,15-/m1/s1 |
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCCC(=O)O)SC1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Alvi, K A; Reeves, C D; Peterson, J; Lein, J Isolation and identification of a new cephem compound from Penicillium chrysogenum strains expressing deacetoxycephalosporin C synthase activity Journal of Antibiotics 1995 48 (4) 338-340. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.338 | PMID | 7775275 |
