Exact Mass: 216.0997686
Exact Mass Matches: 216.0997686
Found 500 metabolites which its exact mass value is equals to given mass value 216.0997686
,
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.
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
C9H16N2O2S (216.09324360000002)
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.
{[[(4-Cyanobenzyl)amino](imino)methyl]amino}methanimidamide
3-Ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide
C7H12N4O4 (216.08585119999998)
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.
7-(chloromethylidene)dec-4-enoic acid
C11H17ClO2 (216.09170120000002)
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
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)
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
cycloanthranilylproline
Organic chemicals, Polycyclic compounds, Anthracenes
Cymoxanil-TP IN-KQ960
C7H12N4O4 (216.08585119999998)
CONFIDENCE standard compound; UCHEM_ID 4210
Naproxol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
THR-Pro
A dipeptide formed from L-threonine and L-proline residues.
Sakacin P
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D001430 - Bacteriocins
3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-3-OXO-PROPIONICACID
potassium dodecahydrododecaborate hydrate
B10H12K2O (216.10927619999998)
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
2-Naphthalenecarboxylic acid, 4-hydroxy-6-Methyl-, Methyl ester
(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
C11H13BN2O2 (216.10700280000003)
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
C11H12N4O (216.10110619999998)
6-Ethoxy-2-naphthaleneboronic acid
C12H13BO3 (216.09576980000003)
3,3,6,8-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE-1,2-DIONE
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER
5-Amino-1-(2-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
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
C11H13BN2O2 (216.10700280000003)
(4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANAMINE
METHACRYLOXYPROPYLDIMETHYLMETHOXYSILANE
C10H20O3Si (216.11816500000003)
4-Cyanopyridine-3-boronic acid neopentyl glycol ester
C11H13BN2O2 (216.10700280000003)
Acetonitrile,2,2,2,2-(1,2-ethanediyldinitrilo)tetrakis-
3-FURANCARBOXYLIC ACID, 2-METHYL-5-(4-METHYLPHENYL)-
5-Amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE
1-PHENYL-4-TRIMETHYLSILANYL-BUT-3-YN-2-ONE
C13H16OSi (216.09703659999997)
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)
C11H12N4O (216.10110619999998)
5-METHYL-2-PHENYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
2-Ethoxy-1-naphthaleneboronic acid
C12H13BO3 (216.09576980000003)
(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid
C11H13BN2O2 (216.10700280000003)
Methyl 1-allyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
1-Chloro-5-triethylsilyl-4-pentyne
C11H21ClSi (216.11009760000002)
3-Piperidinecarboxylic acid,1-(aminothioxomethyl)-,ethyl ester
C9H16N2O2S (216.09324360000002)
N,N-Dimethyl-1-(morpholin-2-yl)methanamine dihydrochloride
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
Piperazine,1-(4-fluorophenyl)-, hydrochloride (1:1)
3-Phosphorincarbonitrile,4-amino-1,2,5,6-tetrahydro-1-phenyl-
2-Cyanopyridine-3-boronic acid neopentyl glycol ester
C11H13BN2O2 (216.10700280000003)
Carbamic acid, (3-isothiocyanatopropyl)-, 1,1-dimethylethyl ester (9CI)
C9H16N2O2S (216.09324360000002)
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)
1-(1H-benzimidazol-2-yl)-1,3-diazinan-2-one
C11H12N4O (216.10110619999998)
6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
C11H12N4O (216.10110619999998)
(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-
Silane, trimethyl(2-naphthalenyloxy)-
C13H16OSi (216.09703659999997)
Silane, trimethyl(1-naphthalenyloxy)-
C13H16OSi (216.09703659999997)
[(2S,3R)-2-Amino-3-hydroxybutanoyl] (2S)-pyrrolidine-2-carboxylate
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
C11H12N4O (216.10110619999998)
(2R,4S,5E,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
C11H12N4O (216.10110619999998)
(3-Amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone
C11H12N4O (216.10110619999998)
2-Methoxy-4-(1-methyl-4-pyridin-1-iumyl)phenol
C13H14NO2+ (216.10244840000001)
5-Amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
2-[(Z)-hydroxyiminomethyl]-5,7-dimethylquinolin-8-ol
Heptanoic acid, 6-oxo-, trimethylsilyl ester
C10H20O3Si (216.11816500000003)
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
Bisorcic
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
3-hydroxysebacate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-hydroxysebacic acid.
(4e)-7-(chloromethylidene)dec-4-enoic acid
C11H17ClO2 (216.09170120000002)
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"}