EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:213901 - Cyanopeptolin CP1020
| Formula | C51H73N9O13 |
| Net Charge | 0 |
| Average Mass | 1020.195 |
| Monoisotopic Mass | 1019.53278 |
| SMILES | CCCCCC(=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/C51H73N9O13/c1-6-7-9-18-40(62)54-36(28-42(64)65)46(67)58-44-30(4)73-51(72)43(29(2)3)57-47(68)37(25-21-31-19-22-33(61)23-20-31)59(5)50(71)38(27-32-14-10-8-11-15-32)60-41(63)26-24-35(49(60)70)56-45(66)34(55-48(44)69)16-12-13-17-39(52)53/h8,10-11,14-15,19-20,22-23,29-30,34-38,41,43-44,61,63H,6-7,9,12-13,16-18,21,24-28H2,1-5H3,(H3,52,53)(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65) |
| InChIKey | METOBSVFXVRQPC-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 CP1020 (CHEBI:213901) 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-(hexanoylamino)-4-oxobutanoic acid |