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CHEBI:223267 - Clonocoprogen B
| Formula | C48H82N6O13 |
| Net Charge | 0 |
| Average Mass | 951.213 |
| Monoisotopic Mass | 950.59399 |
| SMILES | CCCCCCCCCCCCCCC(=O)N[C@@H](CCCN(O)C(=O)/C=C(\C)CCO)C(=O)OCC/C(C)=C/C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO)NC1=O |
| InChI | InChI=1S/C48H82N6O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-42(57)49-41(22-19-29-54(66)44(59)34-37(3)25-31-56)48(63)67-32-26-38(4)35-45(60)53(65)28-18-21-40-47(62)50-39(46(61)51-40)20-17-27-52(64)43(58)33-36(2)24-30-55/h33-35,39-41,55-56,64-66H,5-32H2,1-4H3,(H,49,57)(H,50,62)(H,51,61)/b36-33+,37-34+,38-35+/t39-,40-,41-/m0/s1 |
| InChIKey | HLBIEWGOVDRXPB-QDRIXOEJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Clonostachys (ncbitaxon:110564) | - | PubMed (32139881) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Clonocoprogen B (CHEBI:223267) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]-2-(pentadecanoylamino)pentanoate |