CHEBI:165875 - N-Acetyl-S-(1-hydroxymethyl-2-propenyl)-cysteine

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ChEBI Name N-Acetyl-S-(1-hydroxymethyl-2-propenyl)-cysteine
ChEBI ID CHEBI:165875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H15NO4S
Net Charge 0
Average Mass 233.280
Monoisotopic Mass 233.07218
InChI InChI=1S/C9H15NO4S/c1-3-7(4-11)15-5-8(9(13)14)10-6(2)12/h3,7-8,11H,1,4-5H2,2H3,(H,10,12)(H,13,14)/t7?,8-/m0/s1
InChIKey CVFXMLXLNNEEJM-MQWKRIRWSA-N
SMILES S(C[C@H](NC(=O)C)C(O)=O)C(CO)C=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-(1-hydroxymethyl-2-propenyl)-cysteine (CHEBI:165875) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
(2R)-2-acetamido-3-(1-hydroxybut-3-en-2-ylsulanyl)propanoic acid
Manual Xref Database
2338932 ChemSpider
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Registry Number Type Source
144889-51-0 CAS Registry Number ChemIDplus