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CHEBI:213858 - Cyanopeptolin CP992
| Formula | C49H69N9O13 |
| Net Charge | 0 |
| Average Mass | 992.141 |
| Monoisotopic Mass | 991.50148 |
| SMILES | CCCC(=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/C49H69N9O13/c1-6-12-38(60)52-34(26-40(62)63)44(65)56-42-28(4)71-49(70)41(27(2)3)55-45(66)35(23-19-29-17-20-31(59)21-18-29)57(5)48(69)36(25-30-13-8-7-9-14-30)58-39(61)24-22-33(47(58)68)54-43(64)32(53-46(42)67)15-10-11-16-37(50)51/h7-9,13-14,17-18,20-21,27-28,32-36,39,41-42,59,61H,6,10-12,15-16,19,22-26H2,1-5H3,(H3,50,51)(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63) |
| InChIKey | HPCHIRZLXVDCJR-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 CP992 (CHEBI:213858) 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-(butanoylamino)-4-oxobutanoic acid |