5-Hydroxy-3-methyl-2-pentenoic acid; (E)-form, Ac, (2-carboxyethyl)amide
AlkaPlorer ID: AK301533
Synonym: Pestalotiopamide E
IUPAC Name: 3-[[(E)-5-acetyloxy-3-methylpent-2-enoyl]amino]propanoic acid
Structure
SMILES: CC(=O)OCC/C(C)=C/C(=O)NCCC(=O)O
InChI: InChI=1S/C11H17NO5/c1-8(4-6-17-9(2)13)7-10(14)12-5-3-11(15)16/h7H,3-6H2,1-2H3,(H,12,14)(H,15,16)/b8-7+
InChIKey: BTSIVTZQXXCWQD-BQYQJAHWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pestalotiopsis sp. JCM2A4 | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 243.259
TPSA？: 92.7
MolLogP？: 0.4767999999999996
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|