Exact Mass: 258.1044594
Exact Mass Matches: 258.1044594
Found 176 metabolites which its exact mass value is equals to given mass value 258.1044594,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
AICA-riboside
AICA-riboside, also known as acadesine or AICAR, is an AMP-activated protein kinase activator which is used for the treatment of acute lymphoblastic leukemia and may have applications in treating other disorders such as diabetes. AICA-riboside is an adenosine regulating agent developed by PeriCor Therapeutics and licensed to Schering-Plough in 2007 for phase III studies. The drug is a potential first-in-class agent for prevention of reperfusion injury in CABG surgery. Schering began patient enrollment in phase III studies in May, 2009. The trial was terminated in late 2010 based on an interim futility analysis (Wikipedia). AICA-riboside is a minor constituent found in human milk (PMID: 7702711). C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy D007004 - Hypoglycemic Agents
Glycerophosphorylcholine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G069; [MS2] KO009112 KEIO_ID G069
Carbapenem biosynthesis intermediate 5
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound. Carbapenem biosynthesis intermediate 5 is a natural product found in Streptomyces cattleya, Apis cerana, and Euglena gracilis with data available.
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-
6-Nitroquipazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
5-Amino-1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
L-enantiomer
Ribosyl-5-amino-4-imidazolcarboxamid
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
C14H14N2O3 (258.10043740000003)
1-Acetyl-3-carboxy-tetrahydro-beta-carboline
C14H14N2O3 (258.10043740000003)
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
C14H14N2O3 (258.10043740000003)
Tensyuic acid B
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
(5-Amino-imidazol-4-carbonsaeureamid)-ribofuranosid|5-amino-1(3)H-imidazole-4-carboxylic acid beta-D-ribofuranosylamide
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSIDE
Acadesine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy
Diacetyl trimer
Shi epoxidation catalyst, L-enantiomer
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
C14H14N2O3 (258.10043740000003)
Magnesium acetylacetonate dihydrate
C10H18MgO6 (258.09538280000004)
1-[4-(4-MORPHOLINYL)PHENYL]-1H-PYRROLE-2,5-DIONE
C14H14N2O3 (258.10043740000003)
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
C14H14N2O3 (258.10043740000003)
1-N-CBZ-2-Methylpropane-1,2-diamine-HCl
C12H19ClN2O2 (258.11349839999997)
2-N-Cbz-2-Methylpropane-1,2-diamine hydrochloride
C12H19ClN2O2 (258.11349839999997)
benzyl N-(6-methyl-2-oxo-1H-pyridin-3-yl)carbamate
C14H14N2O3 (258.10043740000003)
4,4,5,5-Tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(2,4,5-trifluorophenyl)-1,3,2-dioxaborolane
Benzyl n-(4-aminobutyl)carbamate hydrochloride
C12H19ClN2O2 (258.11349839999997)
3-Pyridazinecarboxamide, 6-[[(4-methoxyphenyl)methyl]amino]-
Benzyl (4-methoxypyridin-2-yl)carbamate
C14H14N2O3 (258.10043740000003)
5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Aspartic acid beta-naphthylamide
C14H14N2O3 (258.10043740000003)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
7-ISOPROPOXY-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
C14H14N2O3 (258.10043740000003)
(R,R)-7-AMINO-3-(1-METHYLPYRROLIDINIO)METHYL-3-CEPHEM-4-CARBOXYLATEHCL
C14H14N2O3 (258.10043740000003)
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
1-oxo-2,3,4,9-tetrahydro-1h-b-carboline-6-carboxylic acid ethyl ester
C14H14N2O3 (258.10043740000003)
a-D-erythro-Hex-2-enopyranoside,ethyl 2,3-dideoxy-, 4,6-diacetate
ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
6,7-Diethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
3-(4-METHYL-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
C14H14N2O3 (258.10043740000003)
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
7-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
ethyl 4-(6-methylpyridazin-3-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane
TERT-BUTYL (4-(2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)CARBAMATE
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
C12H19ClN2O2 (258.11349839999997)
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE
C14H14N2O3 (258.10043740000003)
N-[(4-Aminophenyl)methyl]carbamic acid 1,1-dimethylethyl ester hydrochloride
C12H19ClN2O2 (258.11349839999997)
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
TERT-BUTYL 3-AMINO-5-CYANO-1H-INDAZOLE-1-CARBOXYLATE
1-(3,4-Dimethoxyphenyl)piperazine hydrochloride
C12H19ClN2O2 (258.11349839999997)
1-Cbz-Amino-3-methylaminopropane hydrochloride
C12H19ClN2O2 (258.11349839999997)
1-N-Cbz-1-N-Methyl-1,3-diaminopropane hydrochloride
C12H19ClN2O2 (258.11349839999997)
6-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-YL)-hexanoic acid
methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
C16H15FO2 (258.10560219999996)
4-amino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
N-{(E)-amino[(5-methyl-1,3-benzoxazol-2-yl)amino]methylidene}cyclopropanecarboxamide
4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
C14H14N2O3 (258.10043740000003)
N-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
C14H14N2O3 (258.10043740000003)
2-[1,3-Dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
3-Hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium
C10H16N3O5+ (258.10899059999997)
2-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
6-Nitroquipazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
5-{2-[3-(1-hydroxyethyl)oxiran-2-yl]-2-methoxyethyl}-5-methoxyfuran-2-one
2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoic acid
(1r,2s,4s,5r,8s,9r)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
methyl (1s,5s)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
1-[3-(hydroxymethyl)-9h-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
1-(2-hydroxyethyl)-4-methoxy-beta-carboline
C14H14N2O3 (258.10043740000003)
{"Ingredient_id": "HBIN000880","Ingredient_name": "1-(2-hydroxyethyl)-4-methoxy-beta-carboline","Alias": "NA","Ingredient_formula": "C14H14N2O3","Ingredient_Smile": "NA","Ingredient_weight": "258.27","OB_score": "NA","CAS_id": "77369-99-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9699","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (1s,5s)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
(2r,4r,7s)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl acetate
5-amino-1-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboximidic acid
methyl (1s,5r)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
(2r)-2-methyl-4-[(1s,5r,6r)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoic acid
n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
C14H14N2O3 (258.10043740000003)
methyl 7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
methyl (1r,2s,3s,5s,8s)-7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(3e,5e)-6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
(7s,8r,9r)-9-(hydroxymethyl)-4,7-dimethoxy-7,8-dimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
(1r,2r,3s,5r,6r,8r,10r)-5,6,8,10-tetramethyl-7,9,11-trioxatetracyclo[6.3.0.0²,⁶.0³,¹⁰]undecane-1,3,5-triol
(e)-n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
C14H14N2O3 (258.10043740000003)
(5r)-5-[(2s)-2-[(2r,3s)-3-[(1s)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
3-methoxy-2,3-dimethylpyrazino[1,2-a]indole-1,4-dione
C14H14N2O3 (258.10043740000003)
(1r)-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
C14H14N2O3 (258.10043740000003)