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CHEBI:213847 - Cyanopeptolin CP1049
| Formula | C53H77N9O13 |
| Net Charge | 0 |
| Average Mass | 1048.249 |
| Monoisotopic Mass | 1047.56408 |
| SMILES | CCCCCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCCC(=N)N)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(CCc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C53H77N9O13/c1-6-7-8-9-13-20-42(64)56-38(30-44(66)67)48(69)60-46-32(4)75-53(74)45(31(2)3)59-49(70)39(27-23-33-21-24-35(63)25-22-33)61(5)52(73)40(29-34-16-11-10-12-17-34)62-43(65)28-26-37(51(62)72)58-47(68)36(57-50(46)71)18-14-15-19-41(54)55/h10-12,16-17,21-22,24-25,31-32,36-40,43,45-46,63,65H,6-9,13-15,18-20,23,26-30H2,1-5H3,(H3,54,55)(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67) |
| InChIKey | XTMLAEGIWFDMIU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostoc edaphicum CCNP1411 (ncbitaxon:1472755) | - | PubMed (29949853) |
| 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 CP1049 (CHEBI:213847) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 4-[[15-(5-amino-5-iminopentyl)-2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(octanoylamino)-4-oxobutanoic acid |