EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:220724 - Cyanopeptolin 1014
| Formula | C49H78N10O13 |
| Net Charge | 0 |
| Average Mass | 1015.220 |
| Monoisotopic Mass | 1014.57498 |
| SMILES | CCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(CCCN=C(N)N)C(=O)NC2CCC(O)N(C2=O)C(CC(C)C)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52) |
| InChIKey | XROOLCIJEAHFKQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Microcystisspecies (ncbitaxon:1127) | - | PubMed (16343324) |
| 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 1014 (CHEBI:220724) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-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-(octanoylamino)-5-oxopentanoic acid |