EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:221543 - Spumigin 638
| Formula | C32H42N6O8 |
| Net Charge | 0 |
| Average Mass | 638.722 |
| Monoisotopic Mass | 638.30641 |
| SMILES | CC(=O)OC(Cc1ccc(O)cc1)C(=O)NC(CCc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(C=O)CCCN=C(N)N |
| InChI | InChI=1S/C32H42N6O8/c1-20(40)46-28(18-22-8-13-25(42)14-9-22)30(44)37-26(15-10-21-6-11-24(41)12-7-21)31(45)38-17-3-5-27(38)29(43)36-23(19-39)4-2-16-35-32(33)34/h6-9,11-14,19,23,26-28,41-42H,2-5,10,15-18H2,1H3,(H,36,43)(H,37,44)(H4,33,34,35) |
| InChIKey | QBBDUNLTVSKRAQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nodulariaspeciesmigena (ncbitaxon:70799) | - | PubMed (27834904) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spumigin 638 (CHEBI:221543) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| [1-[[1-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate |