Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000854343 | Gold | 1!CCMSLIB00000850673 |
COMPOUND NPA021443
PROPERTIES
| NPAID | NPA021443 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin IV |
| FORMULA | C77H120N16O19 |
| MOLECULAR WEIGHT (Da) | 1573.9000 |
| ACCURATE MASS (Da) | 1572.8916 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | microspora strain 333 |
| InChIKey | LSJHBSMFQYTUER-AWPSBPSCSA-N |
| InChI | InChI=1S/C77H120N16O19/c1-20-77(19,70(112)93-40-49(97)37-54(93)62(104)87-71(7,8)64(106)81-47(41-94)34-45-27-23-21-24-28-45)88-58(100)50(31-32-55(78)98)83-61(103)53-36-48(96)39-92(53)69(111)76(17,18)91-67(109)74(13,14)85-59(101)51(33-42(2)3)82-56(99)38-79-63(105)57(43(4)5)84-65(107)72(9,10)89-68(110)75(15,16)90-66(108)73(11,12)86-60(102)52(80-44(6)95)35-46-29-25-22-26-30-46/h21-30,42-43,47-54,57,94,96-97H,20,31-41H2,1-19H3,(H2,78,98)(H,79,105)(H,80,95)(H,81,106)(H,82,99)(H,83,103)(H,84,107)(H,85,101)(H,86,102)(H,87,104)(H,88,100)(H,89,110)(H,90,108)(H,91,109)/t47-,48-,49+,50-,51-,52-,53+,54+,57-,77-/m1/s1 |
| SMILES | CC[C@](C)(C(=O)N1C[C@H](C[C@H]1C(=O)NC(C)(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 |
