5-Hydroxy-3-methyl-2-pentenoic acid; (E)-form, Ac, amide
AlkaPlorer ID: AK301532
Synonym: 5-Acetoxy-3-methyl-2-pentenamide, Pestalotiopamide A
IUPAC Name: [(E)-5-amino-3-methyl-5-oxopent-3-enyl] acetate
Structure
SMILES: CC(=O)OCC/C(C)=C/C(=N)O
InChI: InChI=1S/C8H13NO3/c1-6(5-8(9)11)3-4-12-7(2)10/h5H,3-4H2,1-2H3,(H2,9,11)/b6-5+
InChIKey: UBRLOVCOJLAYPQ-AATRIKPKSA-N
Reference
PubChem CID: 52920652
CAS: 1263054-80-3
LOTUS: LTS0161145
SuperNatural Ⅲ: SN0366084-01
{NPAtlas: NPA010537
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pestalotiopsis sp. | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Pestalotiopsis sp. JCM2A4 | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 171.19600000000003
TPSA？: 70.38000000000001
MolLogP？: 1.42117
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|