Enniatin B2
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL504435 | |
| PubChem: | 44559513 | |
| IUPAC: | (3S,6R,9S,12R,15S,18R)-4,10-dimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | |
| Standard InChI: | InChI=1S/C32H55N3O9/c1-15(2)21-30(39)43-25(19(9)10)28(37)35(14)23(17(5)6)32(41)44-26(20(11)12)29(38)34(13)22(16(3)4)31(40)42-24(18(7)8)27(36)33-21/h15-26H,1-14H3,(H,33,36)/t21-,22-,23-,24+,25+,26+/m0/s1 | |
| Standard InChI Key: | NUFASKQIWTXKBR-LZNKSJHBSA-N | |
| SMILES: | CC([C@@H]1N=C(O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC1=O)C(C)C)C)C(C)C)C(C)C)C(C)C)C | |
Molecular propeties
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| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 1 | |
| Molecular Weight: | 625.39 | |
| Topological polar surface area: | 149 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.812 | |
| Number of carbons: | 32 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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