alliin
(XUHLIQGRKRUKPH-ITZCMCNPSA-N)
Structure
- SMILES
- N[C@H](C(=O)O)CS(=O)CC=C
- Molecular Formula:
- C6H11NO3S
- Molecular Weight:
- 177.221
- Log P:
- 0.8990
- Hydrogen Bond Acceptor:
- 4
- Hydrogen Bond Donor:
- 2
- TPSA:
- 99.6
- CAS Number(s):
- 556-27-4; 17795-26-5
Synonym(s)
1.
alliin
2.
PCSO
3.
S-(2-propenyl)cysteine sulfoxide
4.
S-allylcysteine sulfoxide
5.
alliin, (L-Ala)-(R)-isomer
6.
alliin, (L-Ala)-(S)-isomer
7.
alliin, (L-Ala)-isomer
8.
isoalliin
External Link(s)
| MeSH | C006453 |
| PubChem Compound | 25200619 87310 |
| CHEMBL | CHEMBL464166 |
| KEGG | cpd:C08265 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Myocardial Ischemia | 17623887 | CTD | |
| 2 | Neoplasms | 16351512 | CTD |
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