Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577729 | Gold | 3 |
COMPOUND NPA021444
PROPERTIES
| NPAID | NPA021444 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin III |
| FORMULA | C76H118N16O19 |
| MOLECULAR WEIGHT (Da) | 1559.8730 |
| ACCURATE MASS (Da) | 1558.8759 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | microspora strain 333 |
| InChIKey | XGVDUVYDSSWAQF-JPVWLDROSA-N |
| InChI | InChI=1S/C76H118N16O19/c1-19-76(18,70(111)92-39-49(96)35-53(92)62(103)79-43(6)58(99)81-47(40-93)33-45-26-22-20-23-27-45)87-59(100)50(30-31-55(77)97)83-63(104)54-36-48(95)38-91(54)69(110)75(16,17)90-67(108)73(12,13)85-60(101)51(32-41(2)3)82-56(98)37-78-64(105)57(42(4)5)84-65(106)71(8,9)88-68(109)74(14,15)89-66(107)72(10,11)86-61(102)52(80-44(7)94)34-46-28-24-21-25-29-46/h20-29,41-43,47-54,57,93,95-96H,19,30-40H2,1-18H3,(H2,77,97)(H,78,105)(H,79,103)(H,80,94)(H,81,99)(H,82,98)(H,83,104)(H,84,106)(H,85,101)(H,86,102)(H,87,100)(H,88,109)(H,89,107)(H,90,108)/t43-,47-,48+,49-,50+,51-,52-,53+,54-,57+,76-/m0/s1 |
| SMILES | CC[C@@](C)(C(=O)N1C[C@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)CO)O)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H]3C[C@H](CN3C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Argoudelis AD; Johnson LE EMERIMICINS II, III AND IV, ANTIBIOTICS PRODUCED BY EMERICELLOPSIS MICROSPORA IN MEDIA SUPPLEMENTED WITH TRANS-4-n-PROPYL-L-PROLINE Journal of Antibiotics 1974 27 (4) 274-282. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.27.274 | PMID | 4851844 |
