Alliin
AlkaPlorer ID: AK013232
Synonym: None
IUPAC Name: (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid
Structure
SMILES: C=CCS(=O)C[C@H](N)C(=O)O
InChI: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1
InChIKey: XUHLIQGRKRUKPH-ITZCMCNPSA-N
Reference
A Novel Amino Acid Glycoside and Three Amino Acids from Allium sativum
PubChem CID: 25200619
CAS: 17795-26-5
LOTUS: LTS0015270
NPASS: NPC82239
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium sativum | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 177.22499999999997
TPSA？: 80.39
MolLogP？: -0.6669999999999991
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MST | 7.0 | day | 10.1128/aac.01267-09 |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np50096a009 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np50096a009 |
| Micrococcus luteus | Micrococcus luteus | Activity | nan | None | 10.1021/np50096a009 |
| Penicillium oxalicum | Penicillium oxalicum | Activity | nan | None | 10.1021/np50096a009 |
| None | Platelet | IC50 | 60000.0 | nM | 10.1021/np50096a009 |