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CHEBI:213886 - Cyanopeptolin CP999
| Formula | C51H65N7O14 |
| Net Charge | 0 |
| Average Mass | 1000.116 |
| Monoisotopic Mass | 999.45895 |
| SMILES | CCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(Cc2ccc(O)cc2)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/C51H65N7O14/c1-6-10-40(61)52-37(27-42(63)64)46(66)56-44-29(4)72-51(71)43(28(2)3)55-47(67)38(23-17-30-13-18-33(59)19-14-30)57(5)50(70)39(26-31-11-8-7-9-12-31)58-41(62)24-22-35(49(58)69)53-45(65)36(54-48(44)68)25-32-15-20-34(60)21-16-32/h7-9,11-16,18-21,28-29,35-39,41,43-44,59-60,62H,6,10,17,22-27H2,1-5H3,(H,52,61)(H,53,65)(H,54,68)(H,55,67)(H,56,66)(H,63,64) |
| InChIKey | GXNUBUNEGQIUHY-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 CP999 (CHEBI:213886) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 4-[[2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-15-[(4-hydroxyphenyl)methyl]-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 |