EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:210976 - Asperversiamide C
| Formula | C39H52N8O8 |
| Net Charge | 0 |
| Average Mass | 760.893 |
| Monoisotopic Mass | 760.39081 |
| SMILES | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](C)NC1=O |
| InChI | InChI=1S/C39H52N8O8/c1-20(2)31-38(54)42-22(5)33(49)43-29(17-25-18-40-27-15-11-10-14-26(25)27)35(51)45-30(19-48)37(53)41-23(6)34(50)46-32(21(3)4)39(55)44-28(36(52)47-31)16-24-12-8-7-9-13-24/h7-15,18,20-23,28-32,40,48H,16-17,19H2,1-6H3,(H,41,53)(H,42,54)(H,43,49)(H,44,55)(H,45,51)(H,46,50)(H,47,52)/t22-,23-,28+,29-,30+,31-,32-/m1/s1 |
| InChIKey | NFVNDLQYIQAYJY-RRTUSKFZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus versicolor (ncbitaxon:46472) | |||
| - | PubMed (30623956) | ||
| - | PubMed (30016097) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Asperversiamide C (CHEBI:210976) is a oligopeptide (CHEBI:25676) |
| IUPAC Names |
|---|
| (3S,6R,9R,12S,15R,18R,21R)-3-benzyl-12-(hydroxymethyl)-15-(1H-indol-3-ylmethyl)-9,18-dimethyl-6,21-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone |
| (1S,7S,9R,11R)-2',2',10,10-tetramethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,6'-8H-pyrano[3,2-]indole]-2,7',14-trione |