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CHEBI:216824 - Bilain C
| Formula | C23H31N3O6S2 |
| Net Charge | 0 |
| Average Mass | 509.650 |
| Monoisotopic Mass | 509.16543 |
| SMILES | CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OC/C=C(\C)C(=O)NCCC(=O)O)cc2)(SC)C(=O)N1C |
| InChI | InChI=1S/C23H31N3O6S2/c1-15(19(29)24-12-10-18(27)28)11-13-32-17-8-6-16(7-9-17)14-23(34-5)22(31)25(2)21(33-4)20(30)26(23)3/h6-9,11,21H,10,12-14H2,1-5H3,(H,24,29)(H,27,28)/b15-11+/t21-,23-/m1/s1 |
| InChIKey | OSNFZMFLBBKOKX-SYPQDAPTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (17958395) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bilain C (CHEBI:216824) has functional parent β-amino acid (CHEBI:33706) |
| Bilain C (CHEBI:216824) is a organonitrogen compound (CHEBI:35352) |
| Bilain C (CHEBI:216824) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 3-[[(E)-4-[4-[[(2R,5R)-1,4-dimethyl-2,5-bis(methylsulanyl)-3,6-dioxopiperazin-2-yl]methyl]phenoxy]-2-methylbut-2-enoyl]amino]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 23076712 | ChemSpider |