Exact Mass: 176.9789218
Exact Mass Matches: 176.9789218
Found 201 metabolites which its exact mass value is equals to given mass value 176.9789218,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulforaphane
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
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-(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
(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].
(S)-5-((methylsulfinyl)methyl)pyrrolidine-2-thione
sulforaphane
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
1-Isothiocyanato-4-(methylsulfinyl)-butane
Annotation level-1
5-(1-Hydroxy-2-chloroethyl)-4-methylthiazole
C6H8ClNOS (177.00151079999998)
N-(2-chloroethyl)sulfamoyl chloride
C2H5Cl2NO2S (176.94180500000002)
1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene
5-AMINO-2-(TRIFLUOROMETHYL)OXAZOLE-4-CARBONITRILE
C5H2F3N3O (177.01499579999998)
(2-Chloroethyl)sulfamoyl Chloride
C2H5Cl2NO2S (176.94180500000002)
Acetamide,2-chloro-N-1,3,4-thiadiazol-2-yl-
C4H4ClN3OS (176.97636039999998)
2-Methyl-thiazole-4-carboxamidine hydrochloride
C5H8ClN3S (177.01274379999998)
Benzenamine, 3-chloro-2-methyl-, hydrochloride (1:1)
1H-Imidazo[4,5-b][1,2,5]thiadiazolo[3,4-d]pyridine (9CI)
1H-Imidazo[4,5-d][1,2,5]thiadiazolo[3,4-b]pyridine (9CI)
Tidiacic
C26170 - Protective Agent > C2081 - Hepatoprotective Agent
3-(Trifluormethyl)azetidin-3-olhydrochlorid(1:1)
C4H7ClF3NO (177.01682379999997)
Bis(2-Chloroethyl)amine hydrochloride
C4H10Cl3N (176.98787900000002)
Imidodiphosphoric acid
D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
CHEBI:47808
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
(2Z)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoate
(S)-sulforaphane
A sulforaphane in which the sulfinyl group has S configuration. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
diphosphate(1-)
A monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid.
(S)-3-hydroxy-3-methylglutaryl-PksL
(S)-3-hydroxy-3-methylglutaryl group attached to the protein PksL.
L-Aspartic aicd (disodium)
L-Aspartic acid disodium is an amino acid, can be used as a suitable proagent for colon-specific agent deliverly[1][2].
Lesogaberan (hydrochloride)
Lesogaberan (AZD-3355) hydrochloride is a potent and selective GABAB receptor agonist with an EC50 of 8.6 nM for human recombinant GABAB receptor. The affinity (Kis) of Lesogaberan hydrochloride for rat GABAB and GABAA receptors, as measured by displacement of [3H]GABA binding in brain membranes: 5.1 nM and 1.4 μM, respectively. Lesogaberan hydrochloride inhibits transient lower esophageal sphincter relaxation through a peripheral mode of action[1].