Exact Mass: 177.0222

Exact Mass Matches: 177.0222

Found 59 metabolites which its exact mass value is equals to given mass value 177.0222, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Sulforaphane

(R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate

C6H11NOS2 (177.0282)


Sulforaphane (SFN) is the most characterized isothiocyanate. SFN has received a great deal of attention because of its ability to simultaneously modulate multiple cellular targets involved in cancer development, including: (i) DNA protection by modulating carcinogen-metabolizing enzymes and blocking the action of mutagens; (ii) inhibition of cell proliferation and induction of apoptosis, thereby retarding or eliminating clonal expansion of initiated, transformed, and/or neoplastic cells; (iii) inhibition of neoangiogenesis, progression of benign tumors to malignant tumors, and metastasis formation. SFN is therefore able to prevent, delay, or reverse preneoplastic lesions, as well as to act on cancer cells as a therapeutic agent. Taking into account this evidence and its favorable toxicological profile, SFN can be viewed as a conceptually promising agent in cancer prevention and/or therapy. SFN is the hydrolysis product of glucoraphanin, particularly high in the young sprouts of broccoli and cauliflower. SFN can also be obtained by eating cruciferous vegetables such as brussel sprouts, broccoli, cauliflower, bok choy, kale, collards, arugula, broccoli sprouts, chinese broccoli, broccoli raab, kohlrabi, mustard, turnip, radish, watercress and cabbage (PMID:17134937). Sulforaphane is an isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. It has a role as an antineoplastic agent, a plant metabolite, an antioxidant and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a sulfoxide and an isothiocyanate. Sulforaphane is a natural product found in Brassica oleracea var. sabauda, Arabidopsis thaliana, and other organisms with data available. Sulforaphane is a naturally-occurring phytochemical belonging to the class of isothiocyanates. As the aglycone metabolite of glucosinolate glucoraphanin (sulforaphane glucosinolate), sulforaphane acts as an antioxidant and potent stimulator of endogenous detoxifying enzymes. This agent displays anticarcinogenic properties due to its ability to induce phase II detoxification enzymes, such as glutathione S-transferase and quinone reductase, thereby providing protection against certain carcinogens and toxic, reactive oxygen species. Broccoli sprouts contain large amounts of sulforaphane, which is also found in other cruciferous vegetables including cabbage and kale. (NCI04) Present in brassicas. Potential nutriceutical. (R)-Sulforaphane is found in brassicas. An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents

   

Brassicanal A

2-Sulphanyl-1H-indole-3-carbaldehyde

C9H7NOS (177.0248)


Alkaloid from Chinese cabbage (Brassica campestris sspecies pekinensis) inoculated with Pseudomonas cichorii. Brassicanal A is found in many foods, some of which are chinese cabbage, brassicas, cauliflower, and radish. Brassicanal A is found in brassicas. Brassicanal A is an alkaloid from Chinese cabbage (Brassica campestris ssp. pekinensis) inoculated with Pseudomonas cichorii.

   

3-(2-propenoic acid)-o-benzoquinone

3-(3,4-Dioxocyclohexa-1,5-dien-1-yl)prop-2-enoic acid

C9H5O4 (177.0188)


3-(2-propenoic acid)-o-benzoquinone is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(2-propenoic acid)-o-benzoquinone can be found in a number of food items such as vaccinium (blueberry, cranberry, huckleberry), rice, skunk currant, and borage, which makes 3-(2-propenoic acid)-o-benzoquinone a potential biomarker for the consumption of these food products.

   

sulforafan

Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (R)-

C6H11NOS2 (177.0282)


(R)-sulforaphane is a sulforaphane in which the sulfinyl group has R configuration. Naturally occurring compound found in brocolli that acts as a potent inducer of phase II detoxification enzymes. It is an enantiomer of a (S)-sulforaphane. Sulforaphane is under investigation for the treatment of Autism Spectrum Disorder. It is a naturally occurring isothiocyanate found in high concentration in a variety of broccoli. Sulforaphane is a naturally-occurring phytochemical belonging to the class of isothiocyanates. As the aglycone metabolite of glucosinolate glucoraphanin (sulforaphane glucosinolate), sulforaphane acts as an antioxidant and potent stimulator of endogenous detoxifying enzymes. This agent displays anticarcinogenic properties due to its ability to induce phase II detoxification enzymes, such as glutathione S-transferase and quinone reductase, thereby providing protection against certain carcinogens and toxic, reactive oxygen species. Broccoli sprouts contain large amounts of sulforaphane, which is also found in other cruciferous vegetables including cabbage and kale. (NCI04) A sulforaphane in which the sulfinyl group has R configuration. Naturally occurring compound found in brocolli that acts as a potent inducer of phase II detoxification enzymes. C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents (R)-Sulforaphane (L-Sulforaphane) is a highly potent inducer of the Keap1/Nrf2/ARE pathway. (R)-Sulforaphane is a far more potent inducer of the carcinogen-detoxifying enzyme systems in rat liver and lung than the S-isomer[1][2]. (R)-Sulforaphane (L-Sulforaphane) is a highly potent inducer of the Keap1/Nrf2/ARE pathway. (R)-Sulforaphane is a far more potent inducer of the carcinogen-detoxifying enzyme systems in rat liver and lung than the S-isomer[1][2].

   

beta-Carboxyaspartic acid

beta-Carboxyaspartic acid

C5H7NO6 (177.0273)


   

2-(1,3-thiazol-2-yl)phenol

2-(1,3-thiazol-2-yl)phenol

C9H7NOS (177.0248)


   

(S)-5-((methylsulfinyl)methyl)pyrrolidine-2-thione

(S)-5-((methylsulfinyl)methyl)pyrrolidine-2-thione

C6H11NOS2 (177.0282)


   

sulforaphane

D,L-Sulforaphane

C6H11NOS2 (177.0282)


Sulforaphane (SFN) is the most characterized isothiocyanate. SFN has received a great deal of attention because of its ability to simultaneously modulate multiple cellular targets involved in cancer development, including: (i) DNA protection by modulating carcinogen-metabolizing enzymes and blocking the action of mutagens; (ii) inhibition of cell proliferation and induction of apoptosis, thereby retarding or eliminating clonal expansion of initiated, transformed, and/or neoplastic cells; (iii) inhibition of neoangiogenesis, progression of benign tumors to malignant tumors, and metastasis formation. SFN is therefore able to prevent, delay, or reverse preneoplastic lesions, as well as to act on cancer cells as a therapeutic agent. Taking into account this evidence and its favorable toxicological profile, SFN can be viewed as a conceptually promising agent in cancer prevention and/or therapy. SFN is the hydrolysis product of glucoraphanin, particularly high in the young sprouts of broccoli and cauliflower. SFN can also be obtained by eating cruciferous vegetables such as brussel sprouts, broccoli, cauliflower, bok choy, kale, collards, arugula, broccoli sprouts, chinese broccoli, broccoli raab, kohlrabi, mustard, turnip, radish, watercress and cabbage. (PMID: 17134937) [HMDB]. Sulforaphane is found in many foods, some of which are brussel sprouts, white cabbage, broccoli, and cabbage. Acquisition and generation of the data is financially supported in part by CREST/JST. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents

   

DL-Sulforaphane

D,L-Sulforaphane

C6H11NOS2 (177.0282)


   

1-Isothiocyanato-4-(methylsulfinyl)-butane

1-Isothiocyanato-4-(methylsulfinyl)-butane

C6H11NOS2 (177.0282)


Annotation level-1

   

3-chloro-2,6-difluorobenzylamine

3-chloro-2,6-difluorobenzylamine

C7H6ClF2N (177.0157)


   

4-Phenyl-2(3H)-thiazolone

4-Phenyl-2(3H)-thiazolone

C9H7NOS (177.0248)


   

6-ACETYLBENZOTHIAZOLE

6-ACETYLBENZOTHIAZOLE

C9H7NOS (177.0248)


   

2-Acetylbenzothiazole

2-Acetylbenzothiazole

C9H7NOS (177.0248)


   

benzo[b]thiophene-3-carboxylic acid amide

benzo[b]thiophene-3-carboxylic acid amide

C9H7NOS (177.0248)


   

2-Methylbenzoyl isothiocyanate

2-Methylbenzoyl isothiocyanate

C9H7NOS (177.0248)


   

4-Bromo-1-methylpiperidine

4-Bromo-1-methylpiperidine

C6H12BrN (177.0153)


   

1-(BENZO[D]THIAZOL-5-YL)ETHANONE

1-(BENZO[D]THIAZOL-5-YL)ETHANONE

C9H7NOS (177.0248)


   

thianaphthene-2-carboxamide

thianaphthene-2-carboxamide

C9H7NOS (177.0248)


   

N-(2-chloroacetyl)-3-oxobutanamide

N-(2-chloroacetyl)-3-oxobutanamide

C6H8ClNO3 (177.0193)


   

3-Bromo-1-methylpiperidine

3-Bromo-1-methylpiperidine

C6H12BrN (177.0153)


   

1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene

1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene

C7BrD7 (177.017)


   

2-Phenyl-1,3-thiazol-4-ol

2-Phenyl-1,3-thiazol-4-ol

C9H7NOS (177.0248)


   

4-(bromomethyl)piperidine

4-(bromomethyl)piperidine

C6H12BrN (177.0153)


   

Dimethyl nitromalonate

Dimethyl nitromalonate

C5H7NO6 (177.0273)


   

5-AMINO-2-(TRIFLUOROMETHYL)OXAZOLE-4-CARBONITRILE

5-AMINO-2-(TRIFLUOROMETHYL)OXAZOLE-4-CARBONITRILE

C5H2F3N3O (177.015)


   

4-bromotoluene-d7

4-bromotoluene-d7

C7BrD7 (177.017)


   

2-METHYLBENZO[D]THIAZOLE-5-CARBALDEHYDE

2-METHYLBENZO[D]THIAZOLE-5-CARBALDEHYDE

C9H7NOS (177.0248)


   

phenylacetyl isothiocyanate

phenylacetyl isothiocyanate

C9H7NOS (177.0248)


   

(2-Chloro-3,6-difluorophenyl)methylamine

(2-Chloro-3,6-difluorophenyl)methylamine

C7H6ClF2N (177.0157)


   

2-Methyl-thiazole-4-carboxamidine hydrochloride

2-Methyl-thiazole-4-carboxamidine hydrochloride

C5H8ClN3S (177.0127)


   

4-(2-Thiazolyl)phenol

4-(2-Thiazolyl)phenol

C9H7NOS (177.0248)


   

5-Chloro-2,4-difluorobenzylamine

5-Chloro-2,4-difluorobenzylamine

C7H6ClF2N (177.0157)


   

1-bromo-N,N,2-trimethylprop-2-en-1-amine

1-bromo-N,N,2-trimethylprop-2-en-1-amine

C6H12BrN (177.0153)


   

5-formyl-2-methylsulfanylbenzonitrile

5-formyl-2-methylsulfanylbenzonitrile

C9H7NOS (177.0248)


   

4-methylbenzoyl isothiocyanate

4-methylbenzoyl isothiocyanate

C9H7NOS (177.0248)


   

Sulfamide, (4-methyl-5-isoxazolyl)- (9CI)

Sulfamide, (4-methyl-5-isoxazolyl)- (9CI)

C4H7N3O3S (177.0208)


   

3-acetylphenyl isothiocyanate

3-acetylphenyl isothiocyanate

C9H7NOS (177.0248)


   

4-acetylphenyl isothiocyanate

4-acetylphenyl isothiocyanate

C9H7NOS (177.0248)


   

4-(ISOTHIAZOL-5-YL)PHENOL

4-(ISOTHIAZOL-5-YL)PHENOL

C9H7NOS (177.0248)


   

3-(ISOTHIAZOL-5-YL)PHENOL

3-(ISOTHIAZOL-5-YL)PHENOL

C9H7NOS (177.0248)


   

2-(Bromomethyl)piperidine

2-(Bromomethyl)piperidine

C6H12BrN (177.0153)


   

(R)-3-CHLORO-PYRROLIDINE

(R)-3-CHLORO-PYRROLIDINE

C6H12BrN (177.0153)


   

1-benzofuran-5-carbothioamide

1-benzofuran-5-carbothioamide

C9H7NOS (177.0248)


   

3-(1H-PYRROL-1-YL)-2-THIOPHENECARBALDEHYDE

3-(1H-PYRROL-1-YL)-2-THIOPHENECARBALDEHYDE

C9H7NOS (177.0248)


   

(3-chloro-2,4-difluorophenyl)methanamine

(3-chloro-2,4-difluorophenyl)methanamine

C7H6ClF2N (177.0157)


   

phenacyl thiocyanate

phenacyl thiocyanate

C9H7NOS (177.0248)


   

3-METHYLBENZYL ISOTHIOCYANATE

3-METHYLBENZYL ISOTHIOCYANATE

C9H7NOS (177.0248)


   

1-(2-Bromoethyl)pyrrolidine

1-(2-Bromoethyl)pyrrolidine

C6H12BrN (177.0153)


   

3-(Trifluormethyl)azetidin-3-olhydrochlorid(1:1)

3-(Trifluormethyl)azetidin-3-olhydrochlorid(1:1)

C4H7ClF3NO (177.0168)


   

1-(THIENO[2,3-B]PYRIDIN-5-YL)ETHANONE

1-(THIENO[2,3-B]PYRIDIN-5-YL)ETHANONE

C9H7NOS (177.0248)


   

biapenem side chain

biapenem side chain

C5H8ClN3S (177.0127)


   

5-PHENYLOXAZOLE-2-THIOL

5-PHENYLOXAZOLE-2-THIOL

C9H7NOS (177.0248)


   

CHEBI:47808

4-[(R)-methylsulfinyl]butylimino-thioxo-methane

C6H11NOS2 (177.0282)


C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents (R)-Sulforaphane (L-Sulforaphane) is a highly potent inducer of the Keap1/Nrf2/ARE pathway. (R)-Sulforaphane is a far more potent inducer of the carcinogen-detoxifying enzyme systems in rat liver and lung than the S-isomer[1][2]. (R)-Sulforaphane (L-Sulforaphane) is a highly potent inducer of the Keap1/Nrf2/ARE pathway. (R)-Sulforaphane is a far more potent inducer of the carcinogen-detoxifying enzyme systems in rat liver and lung than the S-isomer[1][2].

   

(5E)-3-amino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one

(5E)-3-amino-4-sulfanyl-5-(sulfanylmethylidene)pyrrolidin-2-one

C5H9N2OS2+ (177.0156)


   

(2Z)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoate

(2Z)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoate

C9H5O4- (177.0188)


   

3-(2-propenoic acid)-o-benzoquinone

3-(2-propenoic acid)-o-benzoquinone

C9H5O4- (177.0188)


   

(S)-sulforaphane

(S)-sulforaphane

C6H11NOS2 (177.0282)


A sulforaphane in which the sulfinyl group has S configuration. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents

   

(S)-3-hydroxy-3-methylglutaryl-PksL

(S)-3-hydroxy-3-methylglutaryl-PksL

C6H9O4S (177.0222)


(S)-3-hydroxy-3-methylglutaryl group attached to the protein PksL.