alliin
Chemical Formula:
C6H11NO3S
Molecular Weight:
177.218 Daltons
Monoisotopic Mass:
178.05378894670002 Daltons
SMILES:
C=CCS(=O)CC([N+])C([O-])=O
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:
Synonyms
- (+)-L-alliin
- 3-(allylsulfinyl)alanin
- (S)-allyl-L-cystein-S-oxid
- (S)-S-allyl-L-cysteine sulfoxide
- (S)-3-(allylsulphinyl)-L-alanine
Databases
MetaCyc:
CPD-9269
RefMet:
Alliin
HMDB:
HMDB33592
KEGG:
C08265
Seed:
cpd05181
MetaNetX:
MNXM10635
ChEBI:
2596