CHEBI:189718 - N-acetyl-S-allylcysteine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-acetyl-S-allylcysteine
ChEBI ID CHEBI:189718
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H13NO3S
Net Charge 0
Average Mass 203.260
Monoisotopic Mass 203.06161
InChI InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey LKRAEHUDIUJBSF-ZETCQYMHSA-N
SMILES S(C[C@H](NC(=O)C)C(O)=O)CC=C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-S-allylcysteine (CHEBI:189718) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
(2R)-2-acetamido-3-prop-2-enylsulanylpropanoic acid
Manual Xref Database
134378 ChemSpider
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Registry Number Type Source
23127-41-5 CAS Registry Number ChemIDplus