5-Hydroxy-3-methyl-2-pentenoic acid; (E)-form, Ac, (3-carboxypropyl)amide
AlkaPlorer ID: AK284446
Synonym: Pestalotiopamide B
IUPAC Name: 4-[[(E)-5-acetyloxy-3-methylpent-2-enoyl]amino]butanoic acid
Structure
SMILES: CC(=O)OCC/C(C)=C/C(O)=NCCCC(=O)O
InChI: InChI=1S/C12H19NO5/c1-9(5-7-18-10(2)14)8-11(15)13-6-3-4-12(16)17/h8H,3-7H2,1-2H3,(H,13,15)(H,16,17)/b9-8+
InChIKey: MSKRLHVJEKWHJI-CMDGGOBGSA-N
Reference
PubChem CID: 52920653
CAS: 1263054-81-4
LOTUS: LTS0165664
SuperNatural Ⅲ: SN0234155-01
{NPAtlas: NPA019789
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pestalotiopsis sp. | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 257.28599999999994
TPSA？: 96.19
MolLogP？: 1.7072
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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