EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:214768 - Cyanopeptolin 1006D
| Formula | C51H74N8O13 |
| Net Charge | 0 |
| Average Mass | 1007.196 |
| Monoisotopic Mass | 1006.53753 |
| SMILES | CCCCCC(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(CCCCN)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)CC)C(=O)OC1C |
| InChI | InChI=1S/C51H74N8O13/c1-6-8-10-18-40(61)53-36(24-26-42(63)64)46(66)57-44-31(4)72-51(71)43(30(3)7-2)56-47(67)38(28-33-19-21-34(60)22-20-33)58(5)50(70)39(29-32-15-11-9-12-16-32)59-41(62)25-23-37(49(59)69)55-45(65)35(54-48(44)68)17-13-14-27-52/h9,11-12,15-16,19-22,30-31,35-39,41,43-44,60,62H,6-8,10,13-14,17-18,23-29,52H2,1-5H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64) |
| InChIKey | SHWLRVKGNIYTJW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Microcystisspecies (ncbitaxon:1127) | - | PubMed (16678305) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanopeptolin 1006D (CHEBI:214768) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 5-[[15-(4-aminobutyl)-2-benzyl-8-butan-2-yl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(hexanoylamino)-5-oxopentanoic acid |