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CHEBI:213894 - Cyanopeptolin CP969
| Formula | C50H63N7O13 |
| Net Charge | 0 |
| Average Mass | 970.090 |
| Monoisotopic Mass | 969.44839 |
| 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(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C50H63N7O13/c1-6-13-39(59)51-36(27-41(61)62)45(64)55-43-29(4)70-50(69)42(28(2)3)54-46(65)37(25-30-14-9-7-10-15-30)56(5)49(68)38(26-31-16-11-8-12-17-31)57-40(60)23-22-34(48(57)67)52-44(63)35(53-47(43)66)24-32-18-20-33(58)21-19-32/h7-12,14-21,28-29,34-38,40,42-43,58,60H,6,13,22-27H2,1-5H3,(H,51,59)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H,61,62) |
| InChIKey | IVRIBUXARUEDTR-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 CP969 (CHEBI:213894) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 3-(butanoylamino)-4-[[2,5-dibenzyl-21-hydroxy-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]-4-oxobutanoic acid |