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

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

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ChEBI ID	CHEBI:165875
ChEBI Name	N-Acetyl-S-(1-hydroxymethyl-2-propenyl)-cysteine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H15NO4S
Net Charge	0
Average Mass	233.289
Monoisotopic Mass	233.07218
SMILES	C=CC(CO)SC[C@H](NC(C)=O)C(=O)O
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

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
2338932	ChemSpider

Registry Numbers	Sources
CAS:144889-51-0	ChemIDplus