Chemical Formula: C6H11NO3S

Chemical Formula C6H11NO3S

Found 64 metabolite its formula value is C6H11NO3S

Alliin

2-Amino-3-(prop-2-ene-1-sulphinyl)propanoic acid

C6H11NO3S (177.0459616)


Alliin /ˈæli.ɪn/ is a sulfoxide that is a natural constituent of fresh garlic.[1] It is a derivative of the amino acid cysteine. When fresh garlic is chopped or crushed, the enzyme alliinase converts alliin into allicin, which is responsible for the aroma of fresh garlic. Allicin and other thiosulfinates in garlic are unstable and form a number of other compounds, such as diallyl sulfide (DAS), diallyl disulfide (DADS) and diallyl trisulfide (DAT), dithiins and ajoene.[2] Garlic powder is not a source of alliin, nor is fresh garlic upon maceration, since the enzymatic conversion to allicin takes place in the order of seconds. Alliin was the first natural product found to have both carbon- and sulfur-centered stereochemistry.[3] Constituent of garlic oil (Allium sativum), also from ramsons (Allium ursinum). (R)C(S)S-Alliin is found in garden onion, garlic, and onion-family vegetables. (R)C(S)S-Alliin is found in garden onion. (R)C(S)S-Alliin is a constituent of garlic oil (Allium sativum), also from ramsons (Allium ursinum). Alliin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=556-27-4 (retrieved 2024-07-01) (CAS RN: 556-27-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2]. Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2].

   

S-(1-Propenyl)-cysteine sulfoxide

(2R)-2-Amino-3-[(1E)-prop-1-ene-1-sulphinyl]propanoic acid

C6H11NO3S (177.0459616)


S-(1-propenyl)-cysteine sulfoxide, also known as prensco, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. S-(1-propenyl)-cysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). S-(1-propenyl)-cysteine sulfoxide can be found in a number of food items such as babassu palm, spirulina, elderberry, and cassava, which makes S-(1-propenyl)-cysteine sulfoxide a potential biomarker for the consumption of these food products. D000970 - Antineoplastic Agents D007004 - Hypoglycemic Agents

   

N-formylmethionine

(2S)-2-(Formylamino)-4-(methylthio)butanoic acid

C6H11NO3S (177.0459616)


N-formyl-L-methionine is a L-methionine derivative in which one of the hydrogens attached to the nitrogen is replaced by a formyl group. It has a role as a metabolite. It is a proteinogenic amino acid, a N-formyl amino acid and a L-methionine derivative. It is a conjugate acid of a N-formyl-L-methioninate. N-Formyl-L-methionine belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Formyl-L-methionine is effective in the initiation of protein synthesis. The initiating methionine residue enters the ribosome as N-formylmethionyl-tRNA. This process occurs in Escherichia coli and other bacteria as well as in the mitochondria of eukaryotic cells. Effective in the initiation of protein synthesis. The initiating methionine residue enters the ribosome as N-formylmethionyl tRNA. This process occurs in Escherichia coli and other bacteria as well as in the mitochondria of eucaryotic cells. [HMDB] For-Met-OH is an endogenous metabolite.

   

Alliin

(2R)-2-Amino-3-(prop-2-ene-1-sulphinyl)propanoic acid

C6H11NO3S (177.0459616)


Alliin, also known as (S)-S-allyl-L-cysteine sulfoxide or (S)-3-(allylsulphinyl)-L-alanine, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Alliin is soluble (in water) and a moderately acidic compound (based on its pKa). Alliin can be found in a number of food items such as red rice, mandarin orange (clementine, tangerine), ceylon cinnamon, and olive, which makes alliin a potential biomarker for the consumption of these food products. Garlic has been used since antiquity as a therapeutic remedy for certain conditions now associated with oxygen toxicity, and, when this was investigated, garlic did indeed show strong antioxidant and hydroxyl radical-scavenging properties, it is presumed owing to the alliin contained within. Alliin has also been found to affect immune responses in blood . 3-(Allylsulphinyl)-L-alanine is a L-alpha-amino acid. Alliin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=556-27-4 (retrieved 2024-07-01) (CAS RN: 556-27-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Alliin is the main active component of garlic. (±)-Alliin is a putative inhibitor of the main protease of SARS-CoV-2 (Mpro)[1]. Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2]. Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2].

   

Isoalliin

2-Amino-3-[(1Z)-prop-1-ene-1-sulphinyl]propanoic acid

C6H11NO3S (177.0459616)


Present in onion (Allium cepa). Isoalliin is found in many foods, some of which are mamey sapote, eggplant, common cabbage, and abiyuch. Isoalliin is found in garden onion. Isoalliin is present in onion (Allium cepa D000970 - Antineoplastic Agents D007004 - Hypoglycemic Agents

   

Cycloalliin

5-Methyl-3-thiomorpholinecarboxylic acid 1-oxide, 9ci

C6H11NO3S (177.0459616)


Lucenin 2 is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Lucenin 2 is soluble (in water) and a very weakly acidic compound (based on its pKa). Lucenin 2 can be found in flaxseed, which makes lucenin 2 a potential biomarker for the consumption of this food product. Cycloalliin is found in garden onion. Cycloalliin is a constituent of onion (Allium cepa)

   

N-Acetyl-S-methylcysteine

(2R)-2-[(1-Hydroxyethylidene)amino]-3-(methylsulphanyl)propanoic acid

C6H11NO3S (177.0459616)


   

N-Acetyl-DL-homocysteine

2-[(1-Hydroxyethylidene)amino]-4-sulphanylbutanoic acid

C6H11NO3S (177.0459616)


   

N-Formyl-DL-methionine

2-formamido-4-(methylsulfanyl)butanoic acid

C6H11NO3S (177.0459616)


   

2-Amino-3-propylsulfinylprop-2-enoic acid

2-Amino-3-(propane-1-sulphinyl)prop-2-enoic acid

C6H11NO3S (177.0459616)


   
   

Formyl-L-methionine

FORMYL-L-METHIONYL PEPTIDE

C6H11NO3S (177.0459616)


For-Met-OH is an endogenous metabolite.

   

N-Formylmethionine

N-Formyl-L-methionine

C6H11NO3S (177.0459616)


A L-methionine derivative in which one of the hydrogens attached to the nitrogen is replaced by a formyl group. For-Met-OH is an endogenous metabolite.

   

2-amino-3-prop-2-enylsulfinylpropanoic acid

2-amino-3-prop-2-enylsulfinylpropanoic acid

C6H11NO3S (177.0459616)


   
   

FORMYL-L-METHIONYL

Formyl-L-methionine

C6H11NO3S (177.0459616)


For-Met-OH is an endogenous metabolite.

   

N-Formyl-L-methionine

N-Formyl-L-methionine

C6H11NO3S (177.0459616)


   

FORMYL-L-METHIONYL PEPTIDE

FORMYL-L-METHIONYL PEPTIDE

C6H11NO3S (177.0459616)


   

N-Formyl-methionine; LC-tDDA; CE10

N-Formyl-methionine; LC-tDDA; CE10

C6H11NO3S (177.0459616)


   

N-Formyl-methionine; LC-tDDA; CE20

N-Formyl-methionine; LC-tDDA; CE20

C6H11NO3S (177.0459616)


   

N-Formyl-methionine; LC-tDDA; CE30

N-Formyl-methionine; LC-tDDA; CE30

C6H11NO3S (177.0459616)


   

N-Formyl-methionine; LC-tDDA; CE40

N-Formyl-methionine; LC-tDDA; CE40

C6H11NO3S (177.0459616)


   

Alliin; LC-tDDA; CE10

Alliin; LC-tDDA; CE10

C6H11NO3S (177.0459616)


   

Alliin; LC-tDDA; CE20

Alliin; LC-tDDA; CE20

C6H11NO3S (177.0459616)


   

Alliin; LC-tDDA; CE30

Alliin; LC-tDDA; CE30

C6H11NO3S (177.0459616)


   

Alliin; LC-tDDA; CE40

Alliin; LC-tDDA; CE40

C6H11NO3S (177.0459616)


   

Alliin; AIF; CE0; CorrDec

Alliin; AIF; CE0; CorrDec

C6H11NO3S (177.0459616)


   

Alliin; AIF; CE10; CorrDec

Alliin; AIF; CE10; CorrDec

C6H11NO3S (177.0459616)


   

Alliin; AIF; CE30; CorrDec

Alliin; AIF; CE30; CorrDec

C6H11NO3S (177.0459616)


   

Alliin; AIF; CE0; MS2Dec

Alliin; AIF; CE0; MS2Dec

C6H11NO3S (177.0459616)


   

Alliin; AIF; CE10; MS2Dec

Alliin; AIF; CE10; MS2Dec

C6H11NO3S (177.0459616)


   

Alliin; AIF; CE30; MS2Dec

Alliin; AIF; CE30; MS2Dec

C6H11NO3S (177.0459616)


   

N-FORMYL-METHIONINE

N-FORMYL-METHIONINE

C6H11NO3S (177.0459616)


   

2-amino-3-prop-2-enylsulfinylpropanoic acid_major

2-amino-3-prop-2-enylsulfinylpropanoic acid_major

C6H11NO3S (177.0459616)


   

Cycloallin

5-methyl-1-oxo-1$l^{4},4-thiomorpholine-3-carboxylic acid

C6H11NO3S (177.0459616)


   

1-(Methylsulfonyl)-4-piperidinone

1-(Methylsulfonyl)-4-piperidinone

C6H11NO3S (177.0459616)


   

N-Acetyl-L-Cysteine Methyl Ester

N-Acetyl-L-Cysteine Methyl Ester

C6H11NO3S (177.0459616)


   

Acm-thiopropionic acid

Acm-thiopropionic acid

C6H11NO3S (177.0459616)


   

1-OXIDE-4-THIOMORPHOLINE ACETIC ACID

1-OXIDE-4-THIOMORPHOLINE ACETIC ACID

C6H11NO3S (177.0459616)


   

1-(Methylsulfonyl)-3-piperidinone

1-(Methylsulfonyl)-3-piperidinone

C6H11NO3S (177.0459616)


   

N-Acetyl-S-methyl-L-cysteine

N-Acetyl-S-methyl-L-cysteine

C6H11NO3S (177.0459616)


The S-methyl derivative of N-acetyl-L-cysteine.

   

(2R)-2-formamido-4-(methylsulfanyl)butanoic acid

(2R)-2-formamido-4-(methylsulfanyl)butanoic acid

C6H11NO3S (177.0459616)


   

N-(3-Mercaptopropanoyl)-D-Alanine

N-(3-Mercaptopropanoyl)-D-Alanine

C6H11NO3S (177.0459616)


   
   

74264_FLUKA

(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid

C6H11NO3S (177.0459616)


   

S-1-propenyl-L-cysteine sulfoxide

S-1-propenyl-L-cysteine sulfoxide

C6H11NO3S (177.0459616)


   

2-Amino-3-propylsulfinylprop-2-enoic acid

2-Amino-3-propylsulfinylprop-2-enoic acid

C6H11NO3S (177.0459616)


   

(S)-3-(Allylsulphinyl)-L-alanine

(S)-3-(Allylsulphinyl)-L-alanine

C6H11NO3S (177.0459616)


   

3-(Allylsulfinyl)-L-alanine

2-amino-3-prop-2-enylsulfinylpropanoic acid

C6H11NO3S (177.0459616)


D000970 - Antineoplastic Agents D007004 - Hypoglycemic Agents Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2]. Alliin, an orally active sulfoxide compound derived from garlic, exhibits hypoglycemic, antioxidant and anti-inflammatory activities[1][2].

   

For-DL-Met-OH

N-Formyl-DL-methionine

C6H11NO3S (177.0459616)


   

Cycloalliin

3-THIOMORPHOLINECARBOXYLICACID,5-METHYL-,1-OXIDE

C6H11NO3S (177.0459616)


   

alliin zwitterion

alliin zwitterion

C6H11NO3S (177.0459616)


An L-alpha-amino acid zwitterion that is allin in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.

   

alliin

alliin

C6H11NO3S (177.0459616)


An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.

   

(2r)-2-amino-3-[(r)-prop-2-ene-1-sulfinyl]propanoic acid

(2r)-2-amino-3-[(r)-prop-2-ene-1-sulfinyl]propanoic acid

C6H11NO3S (177.0459616)


   

alliin

NA

C6H11NO3S (177.0459616)


{"Ingredient_id": "HBIN015201","Ingredient_name": "alliin","Alias": "NA","Ingredient_formula": "C6H11NO3S","Ingredient_Smile": "C=CCS(=O)CC(C(=O)O)N","Ingredient_weight": "177.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01264","TCMID_id": "921","TCMSP_id": "NA","TCM_ID_id": "7010;9897;15540;15541;21480;21481;21482;21483","PubChem_id": "15558642","DrugBank_id": "NA"}

   

3-carboxy-5-methylthiomorpholin-1-ium-1-olate

3-carboxy-5-methylthiomorpholin-1-ium-1-olate

C6H11NO3S (177.0459616)


   

2-amino-3-(prop-1-ene-1-sulfinyl)propanoic acid

2-amino-3-(prop-1-ene-1-sulfinyl)propanoic acid

C6H11NO3S (177.0459616)


   

(2s)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid

(2s)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid

C6H11NO3S (177.0459616)


   

(5s)-2-carboxy-5-methylthiomorpholin-1-ium-1-olate

(5s)-2-carboxy-5-methylthiomorpholin-1-ium-1-olate

C6H11NO3S (177.0459616)


   

n-(2-hydroxyethyl)-3-methanesulfinylprop-2-enimidic acid

n-(2-hydroxyethyl)-3-methanesulfinylprop-2-enimidic acid

C6H11NO3S (177.0459616)


   

(2e)-n-(2-hydroxyethyl)-3-[(s)-methanesulfinyl]prop-2-enimidic acid

(2e)-n-(2-hydroxyethyl)-3-[(s)-methanesulfinyl]prop-2-enimidic acid

C6H11NO3S (177.0459616)


   

(2r)-2-amino-3-[(r)-(1e)-prop-1-ene-1-sulfinyl]propanoic acid

(2r)-2-amino-3-[(r)-(1e)-prop-1-ene-1-sulfinyl]propanoic acid

C6H11NO3S (177.0459616)


   

(2e)-n-(2-hydroxyethyl)-3-methanesulfinylprop-2-enimidic acid

(2e)-n-(2-hydroxyethyl)-3-methanesulfinylprop-2-enimidic acid

C6H11NO3S (177.0459616)


   

(2e)-n-(2-hydroxyethyl)-3-[(r)-methanesulfinyl]prop-2-enimidic acid

(2e)-n-(2-hydroxyethyl)-3-[(r)-methanesulfinyl]prop-2-enimidic acid

C6H11NO3S (177.0459616)