Exact Mass: 175.0012
Exact Mass Matches: 175.0012
Found 373 metabolites which its exact mass value is equals to given mass value 175.0012,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-acetylaspartate (NAA)
N-Acetyl-L-Aspartic acid (NAA) or N-Acetylaspartic acid, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-alpha-Acetyl-L-aspartic acid can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyl-L-aspartic acid is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-aspartic acid. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylaspartate can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free aspartic acid can also occur. In particular, N-Acetyl-L-aspartic acid can be synthesized in neurons from the amino acid aspartate and acetyl coenzyme A (acetyl CoA). Specifically, the enzyme known as aspartate N-acetyltransferase (EC 2.3.1.17) catalyzes the transfer of the acetyl group of acetyl CoA to the amino group of aspartate. N-Acetyl-L-aspartic acid is the second most concentrated molecule in the brain after the amino acid glutamate. The various functions served by N-acetylaspartic acid are still under investigation, but the primary proposed functions include (1) acting as a neuronal osmolyte that is involved in fluid balance in the brain, (2) serving as a source of acetate for lipid and myelin synthesis in oligodendrocytes (the glial cells that myelinate neuronal axons), (3) serving as a precursor for the synthesis of the important dipeptide neurotransmitter N-acetylaspartylglutamate (NAAG), and (4) playing a potential role in energy production from the amino acid glutamate in neuronal mitochondria. High neurotransmitter (i.e. N-acetylaspartic acid) levels can lead to abnormal neural signaling, delayed or arrested intellectual development, and difficulties with general motor skills. When present in sufficiently high levels, N-acetylaspartic acid can be a neurotoxin, an acidogen, and a metabotoxin. A neurotoxin is a compound that disrupts or attacks neural tissue. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of N-acetylaspartic acid are associated with Canavan disease. Because N-acetylaspartic acid functions as an organic acid and high levels of organic acids can lead to a condition known... N-Acetylaspartic acid is a derivative of aspartic acid. It is the second most concentrated molecule in the brain after the amino acid glutamate. It is synthesized in neurons from the amino acid aspartate and acetyl coenzyme A. The various functions served by N-acetylaspartic acid are still under investigation, but the primary proposed functions include: Acquisition and generation of the data is financially supported in part by CREST/JST. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids KEIO_ID A142 N-Acetyl-L-aspartic acid is a derivative of aspartic acid.
N-Formyl-L-glutamic acid
N-Formyl-L-glutamate is an intermediate in the histidine metabolism, in a reaction mediated by the enzyme formiminotransferase cyclodeaminase [EC:2.1.2.5 4.3.1.4], a bifunctional enzyme that channels 1-carbon units from formiminoglutamate to the folate pool.(KEGG) [HMDB] N-Formyl-L-glutamate is an intermediate in the histidine metabolism, in a reaction mediated by the enzyme formiminotransferase cyclodeaminase [EC:2.1.2.5 4.3.1.4], a bifunctional enzyme that channels 1-carbon units from formiminoglutamate to the folate pool.(KEGG).
2-Amino-3-oxoadipate
This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
7-Cyano-7-deazaguanine
A pyrrolopyrimidine that is 7-deazaguanine substituted at position 7 by a cyano group.
(R)-(E)-Sulforaphene
Mustard oil from Glucoraphenin (see 4-(Methylthio)-3-butenyl glucosinolate
D-N-(Carboxyacetyl)alanine
D-N-(Carboxyacetyl)alanine is found in pulses. D-N-(Carboxyacetyl)alanine is isolated from seedlings of Pisum sativum (pea). Isolated from seedlings of Pisum sativum (pea). D-N-(Carboxyacetyl)alanine is found in pulses and common pea.
3-Hydroxypyridine sulfate
3-Hydroxypyridine sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 3-Hydroxypyridine sulfate is a potential urinary biomarker of whole grain intake (PMID: 27805021).
2-Methylquinoline
2-methylquinoline is a member of the class of compounds known as hydroquinolines. Hydroquinolines are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. 2-methylquinoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylquinoline can be found in tea, which makes 2-methylquinoline a potential biomarker for the consumption of this food product. Quinaldine or 2-methylquinoline is an organic compound with the formula CH3C9H6N. It is one of the methyl derivative of a heterocyclic compound quinoline. It is bioactive and is used in the preparation of various dyes. It is a colorless oil but commercial samples can be colored .
2-oxo-6-methylthiohexanoate
2-oxo-6-methylthiohexanoate, also known as 6-(methylthio)-2-oxohexanoic acid, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-oxo-6-methylthiohexanoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-6-methylthiohexanoate can be found in a number of food items such as soursop, nance, turmeric, and strawberry guava, which makes 2-oxo-6-methylthiohexanoate a potential biomarker for the consumption of these food products.
Sulforaphene
(r)-(e)-sulforaphene is a member of the class of compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R (R,R not H) (r)-(e)-sulforaphene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-(e)-sulforaphene can be found in root vegetables, which makes (r)-(e)-sulforaphene a potential biomarker for the consumption of this food product. Acquisition and generation of the data is financially supported in part by CREST/JST.; L Sulforaphene, 99\\\\\% / (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].
N-acetyl-L-aspartic acid
An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OTCCIMWXFLJLIA-BYPYZUCNSA-N_STSL_0218_N-Acetyl-L-aspartic acid_2000fmol_190326_S2_LC02MS02_065; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. N-Acetyl-L-aspartic acid is a derivative of aspartic acid.
S-Sulforaphene
Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].
N-Acetylaspartate
N-Acetyl-L-aspartic acid is a derivative of aspartic acid.
Dimethyloxalylglycine
DMOG (Dimethyloxallyl Glycine) is a cell permeable and competitive inhibitor of HIF-PH, which results in HIF-1α stabilisation and accmulation?in vitro and in vivo[1]. DMOG is an α-ketoglutarate analogue and inhibits α-KG-dependent hydroxylases. DMOG?acts as a pro-angiogenic agent and plays a protective role in experimental model of colitis and diarrhoea via HIF-1 related signal[2][4]. DMOG induces cell autophagy[5].
1,3-DIHYDRO-2-THIOXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
2-(aminomethyl)thiazole-5-carbonitrile hydrochloride
2-(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETONITRILE
Thiophene, 2,5-dihydro-3-isothiocyanato-, 1,1-dioxide (9CI)
L-Cysteine hydrochloride hydrate
A hydrate that is the monohydrate form of L-cysteine hydrochloride. L-Cysteine hydrochloride hydrate is a conditionally essential amino acid, which acts as a precursor for biologically active molecules such as hydrogen sulphide (H2S), glutathione and taurine. L-Cysteine hydrochloride hydrate suppresses ghrelin and reduces appetite in rodents and humans[1].
5-Thiazolecarboxylicacid,2,3-dihydro-4-methyl-2-thioxo-
2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride
5-(chloromethyl)-4-ethyl-2-methyl-1,3-thiazole(SALTDATA: FREE)
4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
2(3H)-THIAZOLETHIONE, 5-(2-HYDROXYETHYL)-4-METHYL-
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
3-PYRIDAZINECARBOXYLIC ACID, 6-AMINO-, HYDROCHLORIDE
1-(3-chloropropyl)pyrrolidine-2,5-dione(SALTDATA: FREE)
tetrahydro-3-(isocyanatomethyl)Thiophene 1,1-dioxide
7-Amino-4,5-dihydro-5-oxo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
2-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)acetic acid
Propanedioic acid, (methoxyimino)-, dimethyl ester
2-oxo-6-methylthiohexanoate
2-oxo-6-methylthiohexanoate, also known as 6-(methylthio)-2-oxohexanoic acid, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-oxo-6-methylthiohexanoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-6-methylthiohexanoate can be found in a number of food items such as soursop, nance, turmeric, and strawberry guava, which makes 2-oxo-6-methylthiohexanoate a potential biomarker for the consumption of these food products.
(R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate
A (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate obtained by deprotonation of the carboxy group of (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3.
(2S)-2-azaniumyl-3-(carboxylatoformamido)propanoate
2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoic acid
3,4-Dihydroxy-5-(2-hydroxyethanimidoyl)oxolan-2-one
2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde
A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively.
L-ascorbate
The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.
2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion
An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde
2-Amino-3-oxoadipic acid
A 1,6-dicarboxylic acid compound having an amino substituent at the 2-position and an oxo substituent at the 3-position.
5-chloromuconolactone(1-)
A monocarboxylic acid anion that is the conjugate base of 5-chloromuconolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
