Exact Mass: 177.0468996

Exact Mass Matches: 177.0468996

Found 57 metabolites which its exact mass value is equals to given mass value 177.0468996, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

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)

   

Polyvidone

1-Vinyl-2-pyrrolidinone cross-linked insoluble polymer

C6H13NOP2 (177.0472348)


Polyvidone is used as a diluent in colour additive mixtures for marking food; in coatings on fresh citrus fruits; as a clarifying agent for beer, wine and vinegar; as a tableting adjuvant. A cross-linked form of PVP is also used as a disintegrant (see also excipients) in pharmaceutical tablets. It is also known as cross-linked polyvinyl pyrrolidone, Polyvinyl Polypyrrolidone (PVPP), crospovidone, crospolividone. Basically, PVPP is a highly cross-linked version of PVP, which makes it insoluble in water but it still absorbs water and swells very rapidly and generate a swelling force. That is why it can be used a disintegrant in tablets. It is also used to bind impurities to remove them from solutions.It is also used as a fining to extract impurities (via agglomeration followed by filtration). Using the same principle it is used to remove polyphenols in beer production and thus clear beers with stable foam are produced. PVPP can be used as well as a drug taken as a tablet or suspension and it absorbs compounds (so called Endotoxins) causing diarrhoea. (Cf. bone char, charcoal.); As a food additive, PVP is a stabilizer and has E number E1201. PVPP is E1202. It is also used in the wine industry as a fining agent for white wine. Other references state that as polyvinyl pyrrolidone and its derivatives are fully from mineral synthetic origin. Therefore, its use in the production should not be a problem for vegans. PVP is soluble in water and other polar solvents. In water it has the useful property of Newtonian viscosity. When dry it is a light flaky powder, which readily absorbs up to 40\\% of its weight in atmospheric water. In solution, it has excellent wetting properties and readily forms films. This makes it good as a coating or an additive to coatings. PVP was first synthesized by Prof. Walter Reppe and a patent was filed in 1939 for one of the most interesting derivatives of acetylene chemistry. PVP was initially used as a blood plasma substitute and later in a wide variety of applications in medicine, pharmacy, cosmetics and industrial production. Polyvinylpolypyrrolidone (PVPP, crospovidone) is a highly cross-linked modification of PVP. Polyvinylpyrrolidone (PVP) is a water-soluble polymer made from the monomer N-vinylpyrrolidone:. It is used as a diluent in colour additive mixtures for marking food; in coatings on fresh citrus fruits; as a clarifying agent for beer, wine and vinegar; as a tableting adjuvant A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07B - Intestinal adsorbents D006401 - Hematologic Agents > D001802 - Blood Substitutes > D010952 - Plasma Substitutes D013501 - Surface-Active Agents > D007466 - Iodophors D001697 - Biomedical and Dental Materials D000890 - Anti-Infective Agents D010592 - Pharmaceutic Aids

   

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)


   

Agrimer

1-Vinyl-2-pyrrolidinone cross-linked insoluble polymer

C6H13NOP2 (177.0472348)


   

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)


   

(S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHANAMINE HYDROCHLORIDE

(S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHANAMINE HYDROCHLORIDE

C6H9ClFN3 (177.0468996)


   

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].

   

Soothe

Soothe

C6H13NOP2 (177.0472348)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07B - Intestinal adsorbents D006401 - Hematologic Agents > D001802 - Blood Substitutes > D010952 - Plasma Substitutes D013501 - Surface-Active Agents > D007466 - Iodophors D001697 - Biomedical and Dental Materials D000890 - Anti-Infective Agents D010592 - Pharmaceutic Aids

   

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.