Exact Mass: 216.1063
Exact Mass Matches: 216.1063
Found 500 metabolites which its exact mass value is equals to given mass value 216.1063,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
gamma-Glutamyl-gamma-aminobutyraldehyde
An L-glutamine derivative that is L-glutamine in which a hydrogen attached to the amide nitrogen is replaced by a 4-oxobutyl group.
N-acetylarginine
N-alpha-Acetyl-L-arginine, also known as N-alpha-acetylarginine, 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-Acetylarginine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylarginine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-arginine. 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-acetylarginine 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 arginine can also occur. Many N-acetylamino acids, including N-acetylarginine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759; PMID: 7777105). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-alpha-Acetyl-L-arginine serum levels (and other guanidino compounds) were elevated of all the hyperargininemic patients are higher than the normal range. Untreated hyperargininemic patients have the highest guanidino compound levels in cerebrospinal fluid. N-alpha-Acetyl-L-arginine is also increased in the urine or hyperargininemic patients. N-alpha-Acetyl-L-arginine is one of the guanidino compounds found elevated in the serum of hemodialyzed renal insufficient (uremic) pediatric patients. N-alpha-Acetylarginine is one of the guanidino compounds found elevated in the serum of an hemodialyzed renal insufficient (uremic) pediatric population. (PMID 7777105) N-Acetyl-L-arginine (Ac-Arg-OH) is one of the guanidino compounds found elevated in the serum of an hemodialyzed renal insufficient (uremic) pediatric population.
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid
L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is found in garden tomato (var.). L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages. L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is formed by Pictet-Spengler condensation of L-tryptophan and formaldehyde in nature or during food processin Widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages. Formed by Pictet-Spengler condensation of L-tryptophan and formaldehyde in nature or during food processing. L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid is found in garden tomato (variety).
3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal
3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal is found in citrus. 3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal is produced by injured peel of grapefruit (Citrus paradisi) and orange (Citrus sinensis). Production by injured peel of grapefruit (Citrus paradisi) and orange (Citrus sinensis). 3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal is found in citrus.
Prolyl-Threonine
Prolyl-Threonine is a dipeptide composed of proline and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Threonylproline
Threonylproline is a dipeptide composed of threonine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Sakacin P
Sakacin P is found in animal foods. Sakacin P is produced by Lactobacillus sake LTH 673 isolated from fermented dry sausage. Production by Lactobacillus sake LTH 673 isolated from fermented dry sausage. Sakacin P is found in animal foods. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D001430 - Bacteriocins
N2,N5-Diacetylornithine
N2,N5-Diacetylornithine, also known as bisorcic, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N2,N5-Diacetylornithine is an N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5. N2,N5-Diacetylornithine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health. C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
7-Methoxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
[(2S,3R)-2-Amino-3-hydroxybutanoyl] (2S)-pyrrolidine-2-carboxylate
Tazolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Isoketocamphoric acid
Isoketocamphoric acid, also known as isoketocamphate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Isoketocamphoric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Isoketocamphoric acid can be found in common sage, which makes isoketocamphoric acid a potential biomarker for the consumption of this food product.
5,5a,6,7-Tetrahydro-1,5-dimethylnaphtho[2,1-b]furan-8(4H)-one
Mansouramycin A
A member of the class of isoquinolines that is 5,8-dihydroisoquinoline substituted by methyl, methyl, oxo, methylamino and oxo groups at positions 3, 4, 5, 7 and 8, respectively. It was isolated from Streptomyces Sp. strain Mei37 from North Sea coast, Germany.
6-Methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline
{[[(4-Cyanobenzyl)amino](imino)methyl]amino}methanimidamide
2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11ah)-dione
5-hydroxy-2,5,7-trimethylspiro[cyclopropane-1,6-indene]-4-one
3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
(2E,8E)-9-(tetrahydro-2H-pyran-2-yl)nona-2,8-diene-4,6-diyn-1-ol|(E,E)-form-9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol|9t-(Tetrahydro-pyran-2-yl)-nona-2t,8-dien-4,6-diin-1-ol
9-(Tetrahydro-2H-pyran-2-yl)-1,8-nonadiene-4,6-diyn-3-ol,|9-(Tetrahydropyran-2-yl)-nona-trans-1,8-dien-4,6-diin-3-ol
?-Methoxy-3-(tetrahydro-5-methoxy-4-methyl-3-furanyl)-2-propenoic acid
(2R,3R,5E)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid|5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
2,8,10-Tetradecatriene-4,6-diyne-1,14-diol|Tetradeca-2t,8t,10t-trien-4,6-diin-1,14-diol|tetradeca-2t,8t,10t-triene-4,6-diyne-1,14-diol|Tetradecatrien-(2t,8t,10t)-diin-(4,6)-diol-(1,14)
Caerulomycin F
A pyridine alkaloid that is 2,2-bipyridine substituted at position 6 by a hydroxymethyl group and at position 4 by a methoxy group. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
3-(Hydroxymethyl)-4-[1-(hydroxymethyl)-2-hydroxypropyl]-5,6-dihydro-2H-pyran-2-one
1,2,3,4-Tetrahydro-5-methoxy-1-oxo-beta-carboline|5-Methoxy-1-oxo-1,2,3,4-tetrahydro-beta-carbolin|5-methoxy-1-oxo-1,2,3,4-tetrahydro-beta-carboline|5-methoxy-1-oxo-tetrahydro-beta-carboline|5-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-on|5-methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-one
2-Methyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
(R)-2,2-Dimethyl-3-(3-oxo-butyl)-bernsteinsaeure und cyclische Tautomere|(R)-2,2-dimethyl-3-(3-oxo-butyl)-succinic acid and cyclic tautomer(ic)
Adrenoglomerulotropin
SubCategory_DNP: : Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
5,6,7,8-tetrahydro-6-hydroxy-7-(1-methylethenyl)-naphthalene-1-carboxaldehyde|8beta-hydroxy-2-dehydroxyliguhodgsonal
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
4-Formyl-antipyrine
CONFIDENCE standard compound; INTERNAL_ID 2667 CONFIDENCE standard compound; INTERNAL_ID 4107
1,2,3,4-Tetrahydro-6-Methoxy-1-oxo-beta-carboline
2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
N-Acetylarginine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SNEIUMQYRCDYCH-LURJTMIESA-N_STSL_0226_N-Acetylarginine_0500fmol_190114_S2_LC02MS02_072; 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.
cycloanthranilylproline
Organic chemicals, Polycyclic compounds, Anthracenes
3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-3-OXO-PROPIONICACID
6-FLUORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
1-BENZYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
5-methyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid
3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde
(S)-(+)-2,3-DIHYDRO-1H-PYRROLO[2,1-C][1,4]BENZODIAZEPINE-5,11(10H,11AH)-DIONE
6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
(S)-4-(2-METHYLBUTYL)[1,1-BIPHENYL]-4-CARBONITRILE
3-Nitro-pyrrolidine-1-carboxylic acid tert-butyl ester
3-Cyano-4-(5,5-Dimethyl-[1,3,2]Dioxaborinan-2-Yl)-Pyridine
1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
5-methyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
DIETHYL1,4-DIHYDRO-2,6-DIMETHYL-1,4-DIPHENYL-3,5-PYRIDINEDICARBOXYLATE
5-FLUORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid
7-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
2-(PYRIDIN-3-YL)-5-(PYRROLIDIN-2-YL)-1,3,4-OXADIAZOLE
3,3,6,8-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE-1,2-DIONE
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]BENZENOL
4-[(Dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
1-METHYL-5-(P-TOLYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl] boronic acid
(4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANAMINE
4-Cyanopyridine-3-boronic acid neopentyl glycol ester
Acetonitrile,2,2,2,2-(1,2-ethanediyldinitrilo)tetrakis-
3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE
2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-CARBOXYLIC ACID
1,2,3,4-Tetrahydro-β-carboline-1-carboxylic acid is a chemical used on the study of neurodegenerative diseases[1].
(S)-2-(2-BROMOPHENYL)-4-ISOPROPYL-4,5-DIHYDROOXAZOLE
1H-Imidazole-5-carboxylicacid, 1-(phenylmethyl)-, methyl ester
1H-Imidazole-4-carboxamide,5-amino-N-(2-methylphenyl)-(9CI)
5-METHYL-2-PHENYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid
Methyl 1-allyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
3-Piperidinecarboxylic acid,1-(aminothioxomethyl)-,ethyl ester
1,2,3,4-tetrahydronaphthalen-1-ylidine acetatic acid ethyl ester
3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
3-(2,4-DIMETHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
1-Cyclopentene-1-carboxylicacid,2-p-methylbenzyl-(5CI)
FURAN-2-CARBOXYLIC ACID (5-AMINO-2-METHYL-PHENYL)-AMINO
2-Cyanopyridine-3-boronic acid neopentyl glycol ester
Carbamic acid, (3-isothiocyanatopropyl)-, 1,1-dimethylethyl ester (9CI)
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
cyanoiminomethylideneazanide,4-(3-methylimidazol-3-ium-1-yl)butanenitrile
1-phenyl-1H-Imidazole-2-carboxylic acid ethyl ester
1H-Imidazole-5-carboxylicacid,4-methyl-1-(phenylmethyl)-(9CI)
6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
(R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid
1H-Indeno[5,6-c]furan-1-one, 3,5,6,7-tetrahydro-6,6,8-trimethyl-
[(2R)-3-carboxy-2-(prop-2-enoyloxy)propyl]trimethylazanium
2-[(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester
[(2S,3R)-2-Amino-3-hydroxybutanoyl] (2S)-pyrrolidine-2-carboxylate
[(2S)-3-carboxy-2-prop-2-enoyloxypropyl]-trimethylazanium
(2R,4S,5E,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
(3-Amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone
2-[(Z)-hydroxyiminomethyl]-5,7-dimethylquinolin-8-ol
gamma-glutamyl-gamma-aminobutyraldehyde zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyl-gamma-aminobutyraldehyde; major species at pH 7.3.
1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid
A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group.
3-(4-Hydroxy-3-(3-methyl-2-butenyl)phenyl)-2-propenal
3-hydroxysebacate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-hydroxysebacic acid.
N(alpha)-acetyl-L-arginine
An N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.
5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
(5r)-3-[(1s,2r)-2-hydroxy-1-methoxypropyl]-5-[(1s)-1-hydroxyethyl]-5h-furan-2-one
(4r,5s,10r)-4,5-dihydroxy-10-methyloxecane-2,7-dione
(7s,9as)-7,9a-dimethyl-3-oxo-8,9-dihydro-7h-benzo[7]annulene-6-carbaldehyde
8-hydroxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
(2s)-2-amino-4-[(4-oxobutyl)-c-hydroxycarbonimidoyl]butanoic acid
10-amino-2,7-dimethyl-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,8(12),9-tetraen-2-ium
2,3,4,9-tetrahydro-pyrido-1H--(3,4b)- indole-3-carboxylic acid
{"Ingredient_id": "HBIN003866","Ingredient_name": "2,3,4,9-tetrahydro-pyrido-1H--(3,4b)- indole-3-carboxylic acid","Alias": "NA","Ingredient_formula": "C12H12N2O2","Ingredient_Smile": "C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(-)-(3S)-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid
{"Ingredient_id": "HBIN009593","Ingredient_name": "(-)-(3S)-1,2,3,4-tetrahydro-\u03b2-carboline-3-carboxylic acid","Alias": "NA","Ingredient_formula": "C12H12N2O2","Ingredient_Smile": "C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40774","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
