N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine (CHEBI:89611)

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CHEBI:89611 - N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine

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ChEBI ID	CHEBI:89611
ChEBI Name	N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine
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Downloads	Molfile

Formula	C9H14N2O3S2
Net Charge	0
Average Mass	262.356
Monoisotopic Mass	262.04458
SMILES	C=CCNC(=S)SCC(NC(C)=O)C(=O)O
InChI	InChI=1S/C9H14N2O3S2/c1-3-4-10-9(15)16-5-7(8(13)14)11-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,15)(H,11,12)(H,13,14)
InChIKey	DJFUZUUKZXAXBZ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	PubMed (8000299)

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-(N-allylthiocarbamoyl)-L-cysteine (CHEBI:89611) is a N-acyl-amino acid (CHEBI:51569)

Synonyms	Source
N-Acetyl-S-(allylcarbamothioyl)cysteine	HMDB
2-acetamido-3-{[(prop-2-en-1-yl)carbamothioyl]sulfanyl}propanoic acid	HMDB
2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid	HMDB

Manual Xrefs	Databases
HMDB0060011	HMDB

Citations